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Rate constants for the reactions of OH with CH3C1, CH2Cl2, CHCl3 and CH3Br have been measured by a relative rate technique in which the reaction rate of each compound was compared to that of HFC-152a (CH3CHF2)and for CH2Cl2, HFC-161 (CH3CH2F).
Bi34Ir3Br37 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one bismuth molecule and one Ir3Bi33Br37 sheet oriented in the (0, 0, 1) direction. In the Ir3Bi33Br37 sheet, there are three inequivalent Ir sites. In the first Ir site, Ir is bonded in an octahedral geometry to six Bi atoms. There are five shorter (2.72 Å) and one longer (2.73 Å) Ir–Bi bond lengths. In the second Ir site, Ir is bonded in an octahedral geometry to six Bi atoms. There are a spread of Ir–Bi bond distances ranging from 2.70–2.73 Å. In the third Ir site, Ir is bonded in an octahedral geometry to six Bi atoms. There are a spread of Ir–Bi bond distances ranging from 2.71–2.73 Å. There are thirty-three inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted single-bond geometry to one Bi and one Br atom. The Bi–Bi bond length is 3.11 Å. The Bi–Br bond length is 3.20 Å. In the second Bi site, Bi is bonded in a distorted single-bond geometry to one Br atom. The Bi–Br bond length is 3.14 Å. In the third Bi site, Bi is bonded in a 4-coordinate geometry to one Bi atom. The Bi–Bi bond length is 3.19 Å. In the fourth Bi site, Bi is bonded to one Ir and four Br atoms to form a mixture of edge and corner-sharing BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.96–3.07 Å. In the fifth Bi site, Bi is bonded to one Ir and four Br atoms to form a mixture of edge and corner-sharing BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.96–3.03 Å. In the sixth Bi site, Bi is bonded in a 4-coordinate geometry to four Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.10–3.19 Å. In the seventh Bi site, Bi is bonded in a distorted single-bond geometry to one Bi and one Br atom. The Bi–Bi bond length is 3.19 Å. The Bi–Br bond length is 3.31 Å. In the eighth Bi site, Bi is bonded in a distorted single-bond geometry to three Bi and one Br atom. There are two shorter (3.03 Å) and one longer (3.11 Å) Bi–Bi bond lengths. The Bi–Br bond length is 3.28 Å. In the ninth Bi site, Bi is bonded to one Ir and four Br atoms to form a mixture of edge and corner-sharing BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.96–3.02 Å. In the tenth Bi site, Bi is bonded to one Ir and four Br atoms to form a mixture of edge and corner-sharing BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.95–3.04 Å. In the eleventh Bi site, Bi is bonded to one Ir and four Br atoms to form a mixture of edge and corner-sharing BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.94–3.06 Å. In the twelfth Bi site, Bi is bonded in a distorted rectangular see-saw-like geometry to three Bi and one Br atom. Both Bi–Bi bond lengths are 3.03 Å. The Bi–Br bond length is 3.47 Å. In the thirteenth Bi site, Bi is bonded in a 2-coordinate geometry to one Bi atom. In the fourteenth Bi site, Bi is bonded in a 3-coordinate geometry to three Bi atoms. The Bi–Bi bond length is 3.03 Å. In the fifteenth Bi site, Bi is bonded in a 4-coordinate geometry to four Bi atoms. The Bi–Bi bond length is 3.30 Å. In the sixteenth Bi site, Bi is bonded to one Ir and four Br atoms to form a mixture of edge and corner-sharing BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.95–3.01 Å. In the seventeenth Bi site, Bi is bonded to one Ir and four Br atoms to form a mixture of edge and corner-sharing BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.97–3.02 Å. In the eighteenth Bi site, Bi is bonded to one Ir and five Br atoms to form distorted BiIrBr5 pentagonal pyramids that share a cornercorner with one BiIrBr4 square pyramid, edges with two BiIrBr4 square pyramids, a faceface with one BiIrBr5 pentagonal pyramid, and a faceface with one BiIrBr4 square pyramid. There are a spread of Bi–Br bond distances ranging from 2.96–3.28 Å. In the nineteenth Bi site, Bi is bonded in a distorted single-bond geometry to one Bi and one Br atom. The Bi–Br bond length is 3.06 Å. In the twentieth Bi site, Bi is bonded to one Ir and four Br atoms to form BiIrBr4 square pyramids that share a cornercorner with one BiIrBr5 pentagonal pyramid, an edgeedge with one BiIrBr5 pentagonal pyramid, and edges with three BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.97–3.09 Å. In the twenty-first Bi site, Bi is bonded to one Ir and five Br atoms to form distorted BiIrBr5 pentagonal pyramids that share a cornercorner with one BiIrBr4 square pyramid, edges with three BiIrBr4 square pyramids, and a faceface with one BiIrBr5 pentagonal pyramid. There are a spread of Bi–Br bond distances ranging from 3.05–3.40 Å. In the twenty-second Bi site, Bi is bonded to one Ir and four Br atoms to form BiIrBr4 square pyramids that share a cornercorner with one BiIrBr5 pentagonal pyramid, an edgeedge with one BiIrBr5 pentagonal pyramid, and edges with three BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.98–3.11 Å. In the twenty-third Bi site, Bi is bonded to one Ir and four Br atoms to form a mixture of edge and corner-sharing BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.98–3.05 Å. In the twenty-fourth Bi site, Bi is bonded to one Ir and four Br atoms to form a mixture of edge and corner-sharing BiIrBr4 square pyramids. There are two shorter (2.99 Å) and two longer (3.01 Å) Bi–Br bond lengths. In the twenty-fifth Bi site, Bi is bonded to one Ir and four Br atoms to form a mixture of edge and corner-sharing BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.96–3.02 Å. In the twenty-sixth Bi site, Bi is bonded in a 3-coordinate geometry to three Bi atoms. The Bi–Bi bond length is 3.02 Å. In the twenty-seventh Bi site, Bi is bonded in a 3-coordinate geometry to three Bi atoms. In the twenty-eighth Bi site, Bi is bonded to one Ir and four Br atoms to form BiIrBr4 square pyramids that share a cornercorner with one BiIrBr4 square pyramid, edges with two BiIrBr5 pentagonal pyramids, and edges with two BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.95–3.10 Å. In the twenty-ninth Bi site, Bi is bonded to one Ir and four Br atoms to form distorted BiIrBr4 square pyramids that share a cornercorner with one BiIrBr4 square pyramid, an edgeedge with one BiIrBr5 pentagonal pyramid, edges with two BiIrBr4 square pyramids, and a faceface with one BiIrBr5 pentagonal pyramid. There are a spread of Bi–Br bond distances ranging from 2.97–3.15 Å. In the thirtieth Bi site, Bi is bonded to one Ir and four Br atoms to form a mixture of edge and corner-sharing BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.96–3.02 Å. In the thirty-first Bi site, Bi is bonded in a distorted single-bond geometry to one Bi and one Br atom. The Bi–Br bond length is 2.91 Å. In the thirty-second Bi site, Bi is bonded to one Ir and four Br atoms to form a mixture of edge and corner-sharing BiIrBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.95–3.09 Å. In the thirty-third Bi site, Bi is bonded in a distorted single-bond geometry to one Bi and one Br atom. The Bi–Br bond length is 3.21 Å. There are thirty-seven inequivalent Br sites. In the first Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the second Br site, Br is bonded in a 3-coordinate geometry to three Bi atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to two Bi atoms. In the fourth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the fifth Br site, Br is bonded in a distorted single-bond geometry to two Bi atoms. In the sixth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the seventh Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the eighth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the ninth Br site, Br is bonded in a distorted L-shaped geometry to three Bi atoms. In the tenth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the eleventh Br site, Br is bonded in a distorted trigonal non-coplanar geometry to three Bi atoms. In the twelfth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the thirteenth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the fourteenth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the fifteenth Br site, Br is bonded in a distorted L-shaped geometry to two Bi atoms. In the sixteenth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the seventeenth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the eighteenth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the nineteenth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the twentieth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the twenty-first Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the twenty-second Br site, Br is bonded in a trigonal non-coplanar geometry to three Bi atoms. In the twenty-third Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the twenty-fourth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the twenty-fifth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the twenty-sixth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the twenty-seventh Br site, Br is bonded in a distorted L-shaped geometry to two Bi atoms. In the twenty-eighth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the twenty-ninth Br site, Br is bonded in a trigonal non-coplanar geometry to three Bi atoms. In the thirtieth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the thirty-first Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the thirty-second Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the thirty-third Br site, Br is bonded in a distorted trigonal non-coplanar geometry to three Bi atoms. In the thirty-fourth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the thirty-fifth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the thirty-sixth Br site, Br is bonded in a trigonal non-coplanar geometry to three Bi atoms. In the thirty-seventh Br site, Br is bonded in a distorted trigonal planar geometry to three Bi atoms.
Cs2BaTa6(OBr5)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Cs sites. In the first Cs site, Cs is bonded in a 9-coordinate geometry to nine Br atoms. There are a spread of Cs–Br bond distances ranging from 3.75–4.13 Å. In the second Cs site, Cs is bonded in a 9-coordinate geometry to nine Br atoms. There are a spread of Cs–Br bond distances ranging from 3.75–4.13 Å. In the third Cs site, Cs is bonded in a 9-coordinate geometry to nine Br atoms. There are a spread of Cs–Br bond distances ranging from 3.75–4.13 Å. In the fourth Cs site, Cs is bonded in a 9-coordinate geometry to nine Br atoms. There are a spread of Cs–Br bond distances ranging from 3.75–4.13 Å. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted trigonal planar geometry to three O and six Br atoms. There are a spread of Ba–O bond distances ranging from 2.80–2.84 Å. There are a spread of Ba–Br bond distances ranging from 3.56–3.60 Å. In the second Ba site, Ba is bonded in a distorted trigonal planar geometry to three O and six Br atoms. There are one shorter (2.80 Å) and two longer (2.83 Å) Ba–O bond lengths. There are a spread of Ba–Br bond distances ranging from 3.56–3.60 Å. There are twelve inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted single-bond geometry to one O and four Br atoms. The Ta–O bond length is 1.96 Å. There are a spread of Ta–Br bond distances ranging from 2.62–2.78 Å. In the second Ta site, Ta is bonded in a distorted single-bond geometry to one O and four Br atoms. The Ta–O bond length is 1.94 Å. There are a spread of Ta–Br bond distances ranging from 2.62–2.73 Å. In the third Ta site, Ta is bonded in a distorted single-bond geometry to one O and four Br atoms. The Ta–O bond length is 1.99 Å. There are a spread of Ta–Br bond distances ranging from 2.62–2.78 Å. In the fourth Ta site, Ta is bonded in a distorted single-bond geometry to one O and four Br atoms. The Ta–O bond length is 1.96 Å. There are a spread of Ta–Br bond distances ranging from 2.62–2.78 Å. In the fifth Ta site, Ta is bonded in a distorted single-bond geometry to one O and four Br atoms. The Ta–O bond length is 1.99 Å. There are a spread of Ta–Br bond distances ranging from 2.62–2.78 Å. In the sixth Ta site, Ta is bonded in a distorted single-bond geometry to one O and four Br atoms. The Ta–O bond length is 1.94 Å. There are a spread of Ta–Br bond distances ranging from 2.62–2.73 Å. In the seventh Ta site, Ta is bonded in a distorted single-bond geometry to one O and four Br atoms. The Ta–O bond length is 1.96 Å. There are a spread of Ta–Br bond distances ranging from 2.62–2.78 Å. In the eighth Ta site, Ta is bonded in a distorted single-bond geometry to one O and four Br atoms. The Ta–O bond length is 1.94 Å. There are a spread of Ta–Br bond distances ranging from 2.62–2.72 Å. In the ninth Ta site, Ta is bonded in a distorted single-bond geometry to one O and four Br atoms. The Ta–O bond length is 1.99 Å. There are a spread of Ta–Br bond distances ranging from 2.62–2.78 Å. In the tenth Ta site, Ta is bonded in a distorted single-bond geometry to one O and four Br atoms. The Ta–O bond length is 1.96 Å. There are a spread of Ta–Br bond distances ranging from 2.62–2.78 Å. In the eleventh Ta site, Ta is bonded in a distorted single-bond geometry to one O and four Br atoms. The Ta–O bond length is 1.98 Å. There are a spread of Ta–Br bond distances ranging from 2.62–2.78 Å. In the twelfth Ta site, Ta is bonded in a distorted single-bond geometry to one O and four Br atoms. The Ta–O bond length is 1.94 Å. There are a spread of Ta–Br bond distances ranging from 2.62–2.73 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Ba and two Ta atoms. In the second O site, O is bonded in a 2-coordinate geometry to one Ba and two Ta atoms. In the third O site, O is bonded in a 2-coordinate geometry to one Ba and two Ta atoms. In the fourth O site, O is bonded in a 2-coordinate geometry to one Ba and two Ta atoms. In the fifth O site, O is bonded in a 2-coordinate geometry to one Ba and two Ta atoms. In the sixth O site, O is bonded in a 2-coordinate geometry to one Ba and two Ta atoms. There are twenty-nine inequivalent Br sites. In the first Br site, Br is bonded in a 3-coordinate geometry to one Cs and two Ta atoms. In the second Br site, Br is bonded in a 3-coordinate geometry to one Cs and two Ta atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to one Cs and two Ta atoms. In the fourth Br site, Br is bonded in a 3-coordinate geometry to one Cs and two Ta atoms. In the fifth Br site, Br is bonded in a 3-coordinate geometry to one Cs and two Ta atoms. In the sixth Br site, Br is bonded in a 3-coordinate geometry to one Cs and two Ta atoms. In the seventh Br site, Br is bonded in a 3-coordinate geometry to one Cs and two Ta atoms. In the eighth Br site, Br is bonded in a 3-coordinate geometry to one Cs and two Ta atoms. In the ninth Br site, Br is bonded in a 3-coordinate geometry to one Cs and two Ta atoms. In the tenth Br site, Br is bonded in a 3-coordinate geometry to one Cs and two Ta atoms. In the eleventh Br site, Br is bonded in a 3-coordinate geometry to one Cs and two Ta atoms. In the twelfth Br site, Br is bonded in a 4-coordinate geometry to two Cs, one Ba, and one Ta atom. In the thirteenth Br site, Br is bonded in a 4-coordinate geometry to two Cs, one Ba, and one Ta atom. In the fourteenth Br site, Br is bonded in a 4-coordinate geometry to two Cs, one Ba, and one Ta atom. In the fifteenth Br site, Br is bonded in a 4-coordinate geometry to two Cs, one Ba, and one Ta atom. In the sixteenth Br site, Br is bonded in a 4-coordinate geometry to two Cs, one Ba, and one Ta atom. In the seventeenth Br site, Br is bonded in a 4-coordinate geometry to two Cs, one Ba, and one Ta atom. In the eighteenth Br site, Br is bonded in a 4-coordinate geometry to two Cs, one Ba, and one Ta atom. In the nineteenth Br site, Br is bonded in a 4-coordinate geometry to two Cs, one Ba, and one Ta atom. In the twentieth Br site, Br is bonded in a 4-coordinate geometry to two Cs, one Ba, and one Ta atom. In the twenty-first Br site, Br is bonded in a 4-coordinate geometry to two Cs, one Ba, and one Ta atom. In the twenty-second Br site, Br is bonded in a 4-coordinate geometry to two Cs, one Ba, and one Ta atom. In the twenty-third Br site, Br is bonded in a 4-coordinate geometry to two Cs, one Ba, and one Ta atom. In the twenty-fourth Br site, Br is bonded in a 2-coordinate geometry to two Ta atoms. In the twenty-fifth Br site, Br is bonded in a 2-coordinate geometry to two Ta atoms. In the twenty-sixth Br site, Br is bonded in a 2-coordinate geometry to two Ta atoms. In the twenty-seventh Br site, Br is bonded in a 2-coordinate geometry to two Ta atoms. In the twenty-eighth Br site, Br is bonded in a 2-coordinate geometry to two Ta atoms. In the twenty-ninth Br site, Br is bonded in a 2-coordinate geometry to two Ta atoms.
Nb24I35Br9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-four inequivalent Nb sites. In the first Nb site, Nb is bonded to four I and one Br atom to form a mixture of distorted corner and edge-sharing NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.90–2.94 Å. The Nb–Br bond length is 2.82 Å. In the second Nb site, Nb is bonded to four I and one Br atom to form a mixture of distorted corner and edge-sharing NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.90–2.92 Å. The Nb–Br bond length is 2.84 Å. In the third Nb site, Nb is bonded to four I and one Br atom to form a mixture of distorted corner and edge-sharing NbI4Br square pyramids. There are three shorter (2.88 Å) and one longer (2.89 Å) Nb–I bond lengths. The Nb–Br bond length is 2.84 Å. In the fourth Nb site, Nb is bonded to four I and one Br atom to form a mixture of distorted corner and edge-sharing NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.86–2.90 Å. The Nb–Br bond length is 2.86 Å. In the fifth Nb site, Nb is bonded to four I and one Br atom to form a mixture of distorted corner and edge-sharing NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.87–2.94 Å. The Nb–Br bond length is 2.84 Å. In the sixth Nb site, Nb is bonded to four I and one Br atom to form a mixture of distorted corner and edge-sharing NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.87–2.95 Å. The Nb–Br bond length is 2.86 Å. In the seventh Nb site, Nb is bonded to four I and one Br atom to form a mixture of distorted corner and edge-sharing NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.86–2.94 Å. The Nb–Br bond length is 2.87 Å. In the eighth Nb site, Nb is bonded to four I and one Br atom to form a mixture of distorted corner and edge-sharing NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.85–2.91 Å. The Nb–Br bond length is 2.81 Å. In the ninth Nb site, Nb is bonded to four I and one Br atom to form distorted NbI4Br square pyramids that share a cornercorner with one NbI4Br square pyramid and edges with four NbI5 square pyramids. There are a spread of Nb–I bond distances ranging from 2.88–2.92 Å. The Nb–Br bond length is 2.85 Å. In the tenth Nb site, Nb is bonded to four I and one Br atom to form distorted NbI4Br square pyramids that share a cornercorner with one NbI4Br square pyramid and edges with four NbI5 square pyramids. There are three shorter (2.88 Å) and one longer (2.91 Å) Nb–I bond lengths. The Nb–Br bond length is 2.85 Å. In the eleventh Nb site, Nb is bonded to four I and one Br atom to form distorted NbI4Br square pyramids that share a cornercorner with one NbI4Br square pyramid and edges with four NbI5 square pyramids. There are a spread of Nb–I bond distances ranging from 2.86–2.91 Å. The Nb–Br bond length is 2.80 Å. In the twelfth Nb site, Nb is bonded to four I and one Br atom to form a mixture of distorted corner and edge-sharing NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.89–2.92 Å. The Nb–Br bond length is 2.85 Å. In the thirteenth Nb site, Nb is bonded to five I atoms to form distorted NbI5 square pyramids that share a cornercorner with one NbI5 square pyramid and edges with four NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.87–2.97 Å. In the fourteenth Nb site, Nb is bonded to four I and one Br atom to form distorted NbI4Br square pyramids that share a cornercorner with one NbI4Br square pyramid and edges with four NbI5 square pyramids. There are a spread of Nb–I bond distances ranging from 2.88–2.92 Å. The Nb–Br bond length is 2.84 Å. In the fifteenth Nb site, Nb is bonded to four I and one Br atom to form distorted NbI4Br square pyramids that share a cornercorner with one NbI4Br square pyramid and edges with four NbI5 square pyramids. There are a spread of Nb–I bond distances ranging from 2.86–2.92 Å. The Nb–Br bond length is 2.81 Å. In the sixteenth Nb site, Nb is bonded to four I and one Br atom to form distorted NbI4Br square pyramids that share a cornercorner with one NbI4Br square pyramid and edges with four NbI5 square pyramids. There are a spread of Nb–I bond distances ranging from 2.86–2.91 Å. The Nb–Br bond length is 2.83 Å. In the seventeenth Nb site, Nb is bonded to five I atoms to form distorted NbI5 square pyramids that share a cornercorner with one NbI5 square pyramid and edges with four NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.87–3.02 Å. In the eighteenth Nb site, Nb is bonded to five I atoms to form distorted NbI5 square pyramids that share a cornercorner with one NbI5 square pyramid and edges with four NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.85–3.01 Å. In the nineteenth Nb site, Nb is bonded to four I and one Br atom to form a mixture of distorted corner and edge-sharing NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.86–2.93 Å. The Nb–Br bond length is 2.85 Å. In the twentieth Nb site, Nb is bonded to five I atoms to form distorted NbI5 square pyramids that share a cornercorner with one NbI5 square pyramid and edges with four NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.86–2.99 Å. In the twenty-first Nb site, Nb is bonded to four I and one Br atom to form a mixture of distorted corner and edge-sharing NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.85–2.90 Å. The Nb–Br bond length is 2.86 Å. In the twenty-second Nb site, Nb is bonded to four I and one Br atom to form a mixture of distorted corner and edge-sharing NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.85–2.91 Å. The Nb–Br bond length is 2.86 Å. In the twenty-third Nb site, Nb is bonded to five I atoms to form a mixture of distorted corner and edge-sharing NbI5 square pyramids. There are a spread of Nb–I bond distances ranging from 2.88–2.98 Å. In the twenty-fourth Nb site, Nb is bonded to five I atoms to form distorted NbI5 square pyramids that share a cornercorner with one NbI5 square pyramid and edges with four NbI4Br square pyramids. There are a spread of Nb–I bond distances ranging from 2.88–2.95 Å. There are thirty-five inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the second I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the third I site, I is bonded in a 1-coordinate geometry to three Nb atoms. In the fourth I site, I is bonded in a 1-coordinate geometry to three Nb atoms. In the fifth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the sixth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the seventh I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the eighth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the ninth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the tenth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the eleventh I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the twelfth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the thirteenth I site, I is bonded in a 4-coordinate geometry to three Nb atoms. In the fourteenth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the fifteenth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the sixteenth I site, I is bonded in a 1-coordinate geometry to three Nb atoms. In the seventeenth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the eighteenth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the nineteenth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the twentieth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the twenty-first I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the twenty-second I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the twenty-third I site, I is bonded in a bent 120 degrees geometry to two Nb atoms. In the twenty-fourth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the twenty-fifth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the twenty-sixth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the twenty-seventh I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the twenty-eighth I site, I is bonded in a bent 120 degrees geometry to two Nb atoms. In the twenty-ninth I site, I is bonded in a bent 120 degrees geometry to two Nb atoms. In the thirtieth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the thirty-first I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the thirty-second I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the thirty-third I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the thirty-fourth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the thirty-fifth I site, I is bonded in a 3-coordinate geometry to three Nb atoms. There are nine inequivalent Br sites. In the first Br site, Br is bonded in a distorted bent 150 degrees geometry to two Nb atoms. In the second Br site, Br is bonded in a bent 120 degrees geometry to two Nb atoms. In the third Br site, Br is bonded in a bent 150 degrees geometry to two Nb atoms. In the fourth Br site, Br is bonded in a bent 150 degrees geometry to two Nb atoms. In the fifth Br site, Br is bonded in a bent 120 degrees geometry to two Nb atoms. In the sixth Br site, Br is bonded in a distorted bent 120 degrees geometry to two Nb atoms. In the seventh Br site, Br is bonded in a bent 120 degrees geometry to two Nb atoms. In the eighth Br site, Br is bonded in a bent 150 degrees geometry to two Nb atoms. In the ninth Br site, Br is bonded in a bent 150 degrees geometry to two Nb atoms.
Re3Br7 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Re3Br7 clusters. there are six inequivalent Re sites. In the first Re site, Re is bonded in a 3-coordinate geometry to one Re and four Br atoms. The Re–Re bond length is 2.31 Å. There are a spread of Re–Br bond distances ranging from 2.48–3.21 Å. In the second Re site, Re is bonded in a 3-coordinate geometry to three Re and four Br atoms. There are a spread of Re–Re bond distances ranging from 2.31–2.73 Å. There are a spread of Re–Br bond distances ranging from 2.48–2.88 Å. In the third Re site, Re is bonded in a 4-coordinate geometry to three Re and four Br atoms. The Re–Re bond length is 2.65 Å. There are a spread of Re–Br bond distances ranging from 2.49–2.78 Å. In the fourth Re site, Re is bonded in a 3-coordinate geometry to two Re and four Br atoms. There are a spread of Re–Br bond distances ranging from 2.49–3.24 Å. In the fifth Re site, Re is bonded in a distorted see-saw-like geometry to four Br atoms. There are a spread of Re–Br bond distances ranging from 2.44–2.58 Å. In the sixth Re site, Re is bonded in a 3-coordinate geometry to one Re and four Br atoms. There are a spread of Re–Br bond distances ranging from 2.48–3.19 Å. There are fourteen inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Re atom. In the second Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the third Br site, Br is bonded in a distorted single-bond geometry to three Re atoms. In the fourth Br site, Br is bonded in a single-bond geometry to one Re atom. In the fifth Br site, Br is bonded in a single-bond geometry to one Re atom. In the sixth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the seventh Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the eighth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the ninth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the tenth Br site, Br is bonded in a 1-coordinate geometry to three Re atoms. In the eleventh Br site, Br is bonded in a single-bond geometry to one Re atom. In the twelfth Br site, Br is bonded in a single-bond geometry to one Re atom. In the thirteenth Br site, Br is bonded in a single-bond geometry to one Re atom. In the fourteenth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms.
KOIBr2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 2-coordinate geometry to two equivalent O and three Br atoms. Both K–O bond lengths are 2.82 Å. There are a spread of K–Br bond distances ranging from 3.57–3.78 Å. In the second K site, K is bonded in a 2-coordinate geometry to two equivalent O and three Br atoms. Both K–O bond lengths are 2.82 Å. There are a spread of K–Br bond distances ranging from 3.57–3.79 Å. In the third K site, K is bonded in a 2-coordinate geometry to two equivalent O and five Br atoms. Both K–O bond lengths are 2.62 Å. There are a spread of K–Br bond distances ranging from 3.38–3.49 Å. In the fourth K site, K is bonded in a 2-coordinate geometry to two equivalent O and five Br atoms. Both K–O bond lengths are 2.62 Å. There are a spread of K–Br bond distances ranging from 3.39–3.49 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two equivalent K and one Br atom. The O–Br bond length is 1.76 Å. In the second O site, O is bonded in a trigonal non-coplanar geometry to two equivalent K and one Br atom. The O–Br bond length is 1.76 Å. In the third O site, O is bonded in a 4-coordinate geometry to two equivalent K and two Br atoms. There are one shorter (2.57 Å) and one longer (2.59 Å) O–Br bond lengths. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent K and two Br atoms. There are one shorter (2.57 Å) and one longer (2.59 Å) O–Br bond lengths. There are four inequivalent I sites. In the first I site, I is bonded in a linear geometry to two Br atoms. Both I–Br bond lengths are 2.72 Å. In the second I site, I is bonded in a linear geometry to two Br atoms. Both I–Br bond lengths are 2.75 Å. In the third I site, I is bonded in a linear geometry to two Br atoms. Both I–Br bond lengths are 2.73 Å. In the fourth I site, I is bonded in a linear geometry to two Br atoms. Both I–Br bond lengths are 2.91 Å. There are eight inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to two equivalent K, one O, and one I atom. In the second Br site, Br is bonded in a 1-coordinate geometry to two equivalent K, one O, and one I atom. In the third Br site, Br is bonded in a rectangular see-saw-like geometry to three K and one I atom. In the fourth Br site, Br is bonded in a rectangular see-saw-like geometry to three K and one I atom. In the fifth Br site, Br is bonded in a 5-coordinate geometry to three K, one O, and one I atom. In the sixth Br site, Br is bonded in a 5-coordinate geometry to three K, one O, and one I atom. In the seventh Br site, Br is bonded in a distorted single-bond geometry to one O and one I atom. In the eighth Br site, Br is bonded in a distorted single-bond geometry to one O and one I atom.
RhBi7Br8 is beta Np structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four RhBi7Br8 clusters. Rh is bonded in a pentagonal bipyramidal geometry to seven Bi atoms. There are a spread of Rh–Bi bond distances ranging from 2.73–2.76 Å. There are seven inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted T-shaped geometry to one Rh and two Br atoms. There are one shorter (2.93 Å) and one longer (3.05 Å) Bi–Br bond lengths. In the second Bi site, Bi is bonded to one Rh and four Br atoms to form corner-sharing BiRhBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.87–3.11 Å. In the third Bi site, Bi is bonded to one Rh and four Br atoms to form corner-sharing BiRhBr4 square pyramids. There are a spread of Bi–Br bond distances ranging from 2.88–3.10 Å. In the fourth Bi site, Bi is bonded in a distorted water-like geometry to one Rh and one Br atom. The Bi–Br bond length is 2.79 Å. In the fifth Bi site, Bi is bonded in a distorted water-like geometry to one Rh and one Br atom. The Bi–Br bond length is 2.80 Å. In the sixth Bi site, Bi is bonded in a distorted T-shaped geometry to one Rh and two Br atoms. There are one shorter (2.85 Å) and one longer (3.15 Å) Bi–Br bond lengths. In the seventh Bi site, Bi is bonded in a distorted T-shaped geometry to one Rh and two Br atoms. There are one shorter (2.91 Å) and one longer (3.02 Å) Bi–Br bond lengths. There are eight inequivalent Br sites. In the first Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the second Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the third Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the fourth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the fifth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the sixth Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the seventh Br site, Br is bonded in an L-shaped geometry to two Bi atoms. In the eighth Br site, Br is bonded in a distorted L-shaped geometry to two Bi atoms.
InIn15(SnBr3)16 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one indium molecule and one In15(SnBr3)16 framework. In the In15(SnBr3)16 framework, there are fifteen inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are a spread of In–Br bond distances ranging from 3.44–3.50 Å. In the second In1+ site, In1+ is bonded in a 2-coordinate geometry to two Br1- atoms. There are one shorter (3.08 Å) and one longer (3.13 Å) In–Br bond lengths. In the third In1+ site, In1+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of In–Br bond distances ranging from 3.45–3.55 Å. In the fourth In1+ site, In1+ is bonded in a 4-coordinate geometry to six Br1- atoms. There are a spread of In–Br bond distances ranging from 3.17–3.48 Å. In the fifth In1+ site, In1+ is bonded in a 2-coordinate geometry to four Br1- atoms. There are a spread of In–Br bond distances ranging from 3.06–3.48 Å. In the sixth In1+ site, In1+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are a spread of In–Br bond distances ranging from 3.17–3.39 Å. In the seventh In1+ site, In1+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are a spread of In–Br bond distances ranging from 3.16–3.41 Å. In the eighth In1+ site, In1+ is bonded in a 2-coordinate geometry to three Br1- atoms. There are a spread of In–Br bond distances ranging from 3.19–3.45 Å. In the ninth In1+ site, In1+ is bonded in a 1-coordinate geometry to seven Br1- atoms. There are a spread of In–Br bond distances ranging from 3.38–3.59 Å. In the tenth In1+ site, In1+ is bonded in a 2-coordinate geometry to three Br1- atoms. There are a spread of In–Br bond distances ranging from 3.22–3.46 Å. In the eleventh In1+ site, In1+ is bonded in a 2-coordinate geometry to two Br1- atoms. There are one shorter (3.15 Å) and one longer (3.22 Å) In–Br bond lengths. In the twelfth In1+ site, In1+ is bonded in a 2-coordinate geometry to two Br1- atoms. There are one shorter (3.21 Å) and one longer (3.27 Å) In–Br bond lengths. In the thirteenth In1+ site, In1+ is bonded in a 2-coordinate geometry to two Br1- atoms. There are one shorter (3.08 Å) and one longer (3.15 Å) In–Br bond lengths. In the fourteenth In1+ site, In1+ is bonded in a 2-coordinate geometry to eight Br1- atoms. There are a spread of In–Br bond distances ranging from 3.18–3.54 Å. In the fifteenth In1+ site, In1+ is bonded in a 2-coordinate geometry to two Br1- atoms. There are one shorter (3.10 Å) and one longer (3.14 Å) In–Br bond lengths. There are sixteen inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 5-coordinate geometry to three Br1- atoms. There are one shorter (2.72 Å) and two longer (2.85 Å) Sn–Br bond lengths. In the second Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.76–3.19 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.77–3.14 Å. In the fourth Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are two shorter (2.73 Å) and one longer (2.98 Å) Sn–Br bond lengths. In the fifth Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.75–3.16 Å. In the sixth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.82–3.18 Å. In the seventh Sn2+ site, Sn2+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.80–3.26 Å. In the eighth Sn2+ site, Sn2+ is bonded in a square pyramidal geometry to five Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.76–3.16 Å. In the ninth Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.70–3.21 Å. In the tenth Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.71–3.21 Å. In the eleventh Sn2+ site, Sn2+ is bonded in a distorted square pyramidal geometry to five Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.76–3.27 Å. In the twelfth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.80–3.18 Å. In the thirteenth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.78–3.34 Å. In the fourteenth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to three Br1- atoms. There are two shorter (2.72 Å) and one longer (3.09 Å) Sn–Br bond lengths. In the fifteenth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.79–3.19 Å. In the sixteenth Sn2+ site, Sn2+ is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of Sn–Br bond distances ranging from 2.74–3.31 Å. There are forty-eight inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one In1+ and one Sn2+ atom. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to two In1+ and one Sn2+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to one In1+ and one Sn2+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one In1+ and one Sn2+ atom. In the fifth Br1- site, Br1- is bonded in a 2-coordinate geometry to two In1+ atoms. In the sixth Br1- site, Br1- is bonded in a 2-coordinate geometry to two Sn2+ atoms. In the seventh Br1- site, Br1- is bonded in a distorted single-bond geometry to one In1+ and one Sn2+ atom. In the eighth Br1- site, Br1- is bonded in a 1-coordinate geometry to two In1+ and one Sn2+ atom. In the ninth Br1- site, Br1- is bonded in a 1-coordinate geometry to two In1+ and one Sn2+ atom. In the tenth Br1- site, Br1- is bonded in a distorted T-shaped geometry to two In1+ and one Sn2+ atom. In the eleventh Br1- site, Br1- is bonded in a bent 150 degrees geometry to one In1+ and one Sn2+ atom. In the twelfth Br1- site, Br1- is bonded in a 2-coordinate geometry to two Sn2+ atoms. In the thirteenth Br1- site, Br1- is bonded in a 2-coordinate geometry to one In1+ and two Sn2+ atoms. In the fourteenth Br1- site, Br1- is bonded in a distorted T-shaped geometry to one In1+ and two Sn2+ atoms. In the fifteenth Br1- site, Br1- is bonded in a distorted T-shaped geometry to one In1+ and two Sn2+ atoms. In the sixteenth Br1- site, Br1- is bonded in a 4-coordinate geometry to two In1+ and two Sn2+ atoms. In the seventeenth Br1- site, Br1- is bonded in a distorted single-bond geometry to one Sn2+ atom. In the eighteenth Br1- site, Br1- is bonded in a 2-coordinate geometry to one In1+ and two Sn2+ atoms. In the nineteenth Br1- site, Br1- is bonded in a 2-coordinate geometry to two In1+ and two Sn2+ atoms. In the twentieth Br1- site, Br1- is bonded in a tetrahedral geometry to two In1+ and two Sn2+ atoms. In the twenty-first Br1- site, Br1- is bonded in a distorted bent 150 degrees geometry to one In1+ and one Sn2+ atom. In the twenty-second Br1- site, Br1- is bonded in a 4-coordinate geometry to two In1+ and two Sn2+ atoms. In the twenty-third Br1- site, Br1- is bonded in a distorted water-like geometry to one In1+ and two Sn2+ atoms. In the twenty-fourth Br1- site, Br1- is bonded in a single-bond geometry to one In1+ and one Sn2+ atom. In the twenty-fifth Br1- site, Br1- is bonded in a distorted single-bond geometry to one In1+ and one Sn2+ atom. In the twenty-sixth Br1- site, Br1- is bonded in a distorted single-bond geometry to one In1+ and one Sn2+ atom. In the twenty-seventh Br1- site, Br1- is bonded in a distorted water-like geometry to two Sn2+ atoms. In the twenty-eighth Br1- site, Br1- is bonded in a 2-coordinate geometry to one In1+ and two Sn2+ atoms. In the twenty-ninth Br1- site, Br1- is bonded in a distorted tetrahedral geometry to two In1+ and two Sn2+ atoms. In the thirtieth Br1- site, Br1- is bonded in a 2-coordinate geometry to one In1+ and two Sn2+ atoms. In the thirty-first Br1- site, Br1- is bonded in a distorted single-bond geometry to two In1+ and one Sn2+ atom. In the thirty-second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Sn2+ atom. In the thirty-third Br1- site, Br1- is bonded in a distorted single-bond geometry to one In1+ and one Sn2+ atom. In the thirty-fourth Br1- site, Br1- is bonded in a distorted T-shaped geometry to one In1+ and two Sn2+ atoms. In the thirty-fifth Br1- site, Br1- is bonded in a distorted T-shaped geometry to one In1+ and two Sn2+ atoms. In the thirty-sixth Br1- site, Br1- is bonded in a distorted single-bond geometry to one Sn2+ atom. In the thirty-seventh Br1- site, Br1- is bonded in a 2-coordinate geometry to one In1+ and two Sn2+ atoms. In the thirty-eighth Br1- site, Br1- is bonded in a bent 150 degrees geometry to one In1+ and one Sn2+ atom. In the thirty-ninth Br1- site, Br1- is bonded in a distorted T-shaped geometry to two In1+ and one Sn2+ atom. In the fortieth Br1- site, Br1- is bonded in a distorted single-bond geometry to one Sn2+ atom. In the forty-first Br1- site, Br1- is bonded in a 1-coordinate geometry to two In1+ and one Sn2+ atom. In the forty-second Br1- site, Br1- is bonded in an L-shaped geometry to two Sn2+ atoms. In the forty-third Br1- site, Br1- is bonded in a distorted single-bond geometry to two In1+ and one Sn2+ atom. In the forty-fourth Br1- site, Br1- is bonded in a 3-coordinate geometry to two In1+ and one Sn2+ atom. In the forty-fifth Br1- site, Br1- is bonded in a 2-coordinate geometry to two In1+ and one Sn2+ atom. In the forty-sixth Br1- site, Br1- is bonded in a distorted single-bond geometry to one In1+ and one Sn2+ atom. In the forty-seventh Br1- site, Br1- is bonded in a distorted T-shaped geometry to two In1+ and one Sn2+ atom. In the forty-eighth Br1- site, Br1- is bonded in a single-bond geometry to one Sn2+ atom.
IrRhN5Br6Cl crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two IrRhN5Br6Cl ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Ir5+ sites. In the first Ir5+ site, Ir5+ is bonded in an octahedral geometry to six Br atoms. There are a spread of Ir–Br bond distances ranging from 2.44–2.57 Å. In the second Ir5+ site, Ir5+ is bonded in an octahedral geometry to six Br atoms. There are a spread of Ir–Br bond distances ranging from 2.45–2.55 Å. There are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded in a 6-coordinate geometry to five N+1.40- and one Cl1- atom. There are a spread of Rh–N bond distances ranging from 1.73–2.07 Å. The Rh–Cl bond length is 2.53 Å. In the second Rh3+ site, Rh3+ is bonded in a tetrahedral geometry to four N+1.40- atoms. There are a spread of Rh–N bond distances ranging from 1.74–2.04 Å. There are seven inequivalent N+1.40- sites. In the first N+1.40- site, N+1.40- is bonded in a single-bond geometry to one Rh3+ atom. In the second N+1.40- site, N+1.40- is bonded in a distorted L-shaped geometry to one Rh3+ and one Br atom. The N–Br bond length is 1.91 Å. In the third N+1.40- site, N+1.40- is bonded in a distorted single-bond geometry to one Rh3+ and one Br atom. The N–Br bond length is 2.40 Å. In the fourth N+1.40- site, N+1.40- is bonded in a distorted trigonal planar geometry to one Rh3+ and two equivalent Br atoms. Both N–Br bond lengths are 1.99 Å. In the fifth N+1.40- site, N+1.40- is bonded in a single-bond geometry to one Rh3+ atom. In the sixth N+1.40- site, N+1.40- is bonded in a distorted L-shaped geometry to two equivalent Br atoms. Both N–Br bond lengths are 1.93 Å. In the seventh N+1.40- site, N+1.40- is bonded in a bent 120 degrees geometry to one Rh3+ and one Cl1- atom. The N–Cl bond length is 1.64 Å. There are nine inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Ir5+ atom. In the second Br site, Br is bonded in a bent 120 degrees geometry to one Ir5+ and one N+1.40- atom. In the third Br site, Br is bonded in a distorted single-bond geometry to one Ir5+ atom. In the fourth Br site, Br is bonded in a single-bond geometry to one Ir5+ atom. In the fifth Br site, Br is bonded in a distorted trigonal non-coplanar geometry to one Ir5+ and two equivalent N+1.40- atoms. In the sixth Br site, Br is bonded in a single-bond geometry to one Ir5+ atom. In the seventh Br site, Br is bonded in a 1-coordinate geometry to one Ir5+ atom. In the eighth Br site, Br is bonded in an L-shaped geometry to one Ir5+ and one N+1.40- atom. In the ninth Br site, Br is bonded in a distorted trigonal planar geometry to one Ir5+ and two equivalent N+1.40- atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N+1.40- atom.
Sc19(RuBr7)4 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are six inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to one Ru and five Br atoms. The Sc–Ru bond length is 2.58 Å. There are a spread of Sc–Br bond distances ranging from 2.68–3.15 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to one Ru and five Br atoms. The Sc–Ru bond length is 2.54 Å. There are a spread of Sc–Br bond distances ranging from 2.78–3.19 Å. In the third Sc site, Sc is bonded in a 6-coordinate geometry to one Ru and five Br atoms. The Sc–Ru bond length is 2.53 Å. There are a spread of Sc–Br bond distances ranging from 2.80–3.18 Å. In the fourth Sc site, Sc is bonded to three equivalent Ru and three equivalent Br atoms to form edge-sharing ScRu3Br3 octahedra. All Sc–Ru bond lengths are 2.68 Å. All Sc–Br bond lengths are 2.90 Å. In the fifth Sc site, Sc is bonded to three Ru and three Br atoms to form edge-sharing ScRu3Br3 octahedra. There are one shorter (2.66 Å) and two longer (2.69 Å) Sc–Ru bond lengths. There are two shorter (2.92 Å) and one longer (2.93 Å) Sc–Br bond lengths. In the sixth Sc site, Sc is bonded to six Br atoms to form edge-sharing ScBr6 octahedra. There are a spread of Sc–Br bond distances ranging from 2.66–2.79 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six Sc atoms to form distorted edge-sharing RuSc6 octahedra. In the second Ru site, Ru is bonded to six Sc atoms to form distorted edge-sharing RuSc6 octahedra. There are eight inequivalent Br sites. In the first Br site, Br is bonded in a distorted T-shaped geometry to three Sc atoms. In the second Br site, Br is bonded in a distorted see-saw-like geometry to four Sc atoms. In the third Br site, Br is bonded in a distorted see-saw-like geometry to four Sc atoms. In the fourth Br site, Br is bonded in a distorted see-saw-like geometry to four Sc atoms. In the fifth Br site, Br is bonded in a distorted T-shaped geometry to three equivalent Sc atoms. In the sixth Br site, Br is bonded in an L-shaped geometry to two equivalent Sc atoms. In the seventh Br site, Br is bonded in a distorted L-shaped geometry to two equivalent Sc atoms. In the eighth Br site, Br is bonded in a distorted T-shaped geometry to three Sc atoms.
Rb21Tl7(O4Br21)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Rb–O bond lengths are 3.07 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Br+0.29- atoms. There are two shorter (3.41 Å) and four longer (3.57 Å) Rb–Br bond lengths. In the third Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br+0.29- atoms. There are a spread of Rb–Br bond distances ranging from 3.38–3.82 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one O2- and seven Br+0.29- atoms. The Rb–O bond length is 2.84 Å. There are a spread of Rb–Br bond distances ranging from 3.56–3.67 Å. There are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in an octahedral geometry to six Br+0.29- atoms. There are two shorter (2.60 Å) and four longer (2.96 Å) Tl–Br bond lengths. In the second Tl1+ site, Tl1+ is bonded in an octahedral geometry to six Br+0.29- atoms. There are two shorter (2.71 Å) and four longer (2.84 Å) Tl–Br bond lengths. In the third Tl1+ site, Tl1+ is bonded in an octahedral geometry to six Br+0.29- atoms. There are a spread of Tl–Br bond distances ranging from 2.71–3.07 Å. O2- is bonded in a 2-coordinate geometry to two Rb1+ and two equivalent Br+0.29- atoms. Both O–Br bond lengths are 3.02 Å. There are seven inequivalent Br+0.29- sites. In the first Br+0.29- site, Br+0.29- is bonded to five Rb1+ and one Tl1+ atom to form distorted BrRb5Tl octahedra that share corners with two equivalent BrRb5Tl octahedra, corners with four equivalent BrRb4Tl square pyramids, a cornercorner with one BrRb4Tl trigonal bipyramid, edges with two equivalent BrRb4Tl square pyramids, faces with two equivalent BrRb5Tl octahedra, faces with two equivalent BrRb4Tl square pyramids, and a faceface with one BrRb4Tl trigonal bipyramid. The corner-sharing octahedra tilt angles range from 0–39°. In the second Br+0.29- site, Br+0.29- is bonded to four Rb1+ and one Tl1+ atom to form distorted BrRb4Tl square pyramids that share corners with four equivalent BrRb5Tl octahedra, a cornercorner with one BrRb4Tl square pyramid, corners with two equivalent BrRb4Tl trigonal bipyramids, edges with two equivalent BrRb5Tl octahedra, and edges with four BrRb4Tl square pyramids. The corner-sharing octahedra tilt angles range from 46–48°. In the third Br+0.29- site, Br+0.29- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Tl1+, and two equivalent O2- atoms. In the fourth Br+0.29- site, Br+0.29- is bonded in a 4-coordinate geometry to three Rb1+ and one Tl1+ atom. In the fifth Br+0.29- site, Br+0.29- is bonded in a single-bond geometry to one Tl1+ atom. In the sixth Br+0.29- site, Br+0.29- is bonded to four Rb1+ and one Tl1+ atom to form distorted BrRb4Tl trigonal bipyramids that share corners with two equivalent BrRb5Tl octahedra, corners with six BrRb4Tl square pyramids, a cornercorner with one BrRb4Tl trigonal bipyramid, edges with two equivalent BrRb4Tl trigonal bipyramids, and faces with two equivalent BrRb5Tl octahedra. The corner-sharing octahedral tilt angles are 34°. In the seventh Br+0.29- site, Br+0.29- is bonded to four Rb1+ and one Tl1+ atom to form distorted BrRb4Tl square pyramids that share a cornercorner with one BrRb4Tl square pyramid, corners with two equivalent BrRb4Tl trigonal bipyramids, edges with four equivalent BrRb4Tl square pyramids, and faces with four equivalent BrRb5Tl octahedra.
Tb10B2Br15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Tb sites. In the first Tb site, Tb is bonded to one B and five Br atoms to form TbBBr5 octahedra that share corners with four TbB2Br4 octahedra and edges with six TbBBr5 octahedra. The corner-sharing octahedra tilt angles range from 3–10°. The Tb–B bond length is 2.50 Å. There are a spread of Tb–Br bond distances ranging from 2.84–3.14 Å. In the second Tb site, Tb is bonded to one B and five Br atoms to form TbBBr5 octahedra that share corners with five TbB2Br4 octahedra and edges with six TbBBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Tb–B bond length is 2.50 Å. There are a spread of Tb–Br bond distances ranging from 2.86–3.11 Å. In the third Tb site, Tb is bonded to one B and five Br atoms to form a mixture of edge and corner-sharing TbBBr5 octahedra. The corner-sharing octahedral tilt angles are 6°. The Tb–B bond length is 2.55 Å. There are a spread of Tb–Br bond distances ranging from 2.86–3.11 Å. In the fourth Tb site, Tb is bonded to one B and five Br atoms to form a mixture of edge and corner-sharing TbBBr5 octahedra. The corner-sharing octahedra tilt angles range from 3–6°. The Tb–B bond length is 2.54 Å. There are a spread of Tb–Br bond distances ranging from 2.88–3.18 Å. In the fifth Tb site, Tb is bonded to two equivalent B and four Br atoms to form a mixture of edge and corner-sharing TbB2Br4 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are one shorter (2.66 Å) and one longer (2.68 Å) Tb–B bond lengths. There are a spread of Tb–Br bond distances ranging from 2.95–3.10 Å. B is bonded to six Tb atoms to form edge-sharing BTb6 octahedra. There are eight inequivalent Br sites. In the first Br site, Br is bonded in a square co-planar geometry to four Tb atoms. In the second Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the third Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the fourth Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the fifth Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the sixth Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the seventh Br site, Br is bonded in a rectangular see-saw-like geometry to four Tb atoms. In the eighth Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms.
Tb16B4Br23 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Tb sites. In the first Tb site, Tb is bonded to one B and five Br atoms to form a mixture of edge and corner-sharing TbBBr5 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. The Tb–B bond length is 2.50 Å. There are a spread of Tb–Br bond distances ranging from 2.87–3.03 Å. In the second Tb site, Tb is bonded to one B and five Br atoms to form TbBBr5 octahedra that share corners with three TbB2Br4 octahedra and edges with seven TbBBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The Tb–B bond length is 2.48 Å. There are a spread of Tb–Br bond distances ranging from 2.83–3.07 Å. In the third Tb site, Tb is bonded to one B and five Br atoms to form a mixture of edge and corner-sharing TbBBr5 octahedra. The corner-sharing octahedra tilt angles range from 3–9°. The Tb–B bond length is 2.51 Å. There are a spread of Tb–Br bond distances ranging from 2.81–3.17 Å. In the fourth Tb site, Tb is bonded to two B and four Br atoms to form a mixture of distorted edge and corner-sharing TbB2Br4 octahedra. The corner-sharing octahedra tilt angles range from 2–11°. There are one shorter (2.57 Å) and one longer (2.66 Å) Tb–B bond lengths. There are a spread of Tb–Br bond distances ranging from 2.89–3.13 Å. In the fifth Tb site, Tb is bonded to three B and three Br atoms to form a mixture of edge and corner-sharing TbB3Br3 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two shorter (2.73 Å) and one longer (2.79 Å) Tb–B bond lengths. There are one shorter (3.00 Å) and two longer (3.06 Å) Tb–Br bond lengths. There are two inequivalent B sites. In the first B site, B is bonded to six Tb atoms to form edge-sharing BTb6 octahedra. In the second B site, B is bonded to six Tb atoms to form edge-sharing BTb6 octahedra. There are eight inequivalent Br sites. In the first Br site, Br is bonded in a distorted square co-planar geometry to four equivalent Tb atoms. In the second Br site, Br is bonded in a distorted trigonal non-coplanar geometry to three Tb atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to three Tb atoms. In the fourth Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the fifth Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the sixth Br site, Br is bonded in a distorted square co-planar geometry to four Tb atoms. In the seventh Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the eighth Br site, Br is bonded in an L-shaped geometry to two equivalent Tb atoms.
K8Rh3(O5Br9)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to two O2- and seven Br atoms. There are one shorter (3.21 Å) and one longer (3.49 Å) K–O bond lengths. There are a spread of K–Br bond distances ranging from 3.29–3.43 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to one O2- and three Br atoms. The K–O bond length is 3.06 Å. There are a spread of K–Br bond distances ranging from 3.34–3.43 Å. There are two inequivalent Rh4+ sites. In the first Rh4+ site, Rh4+ is bonded in an octahedral geometry to six Br atoms. There are two shorter (2.52 Å) and four longer (2.53 Å) Rh–Br bond lengths. In the second Rh4+ site, Rh4+ is bonded in an octahedral geometry to six Br atoms. There are a spread of Rh–Br bond distances ranging from 2.49–2.57 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+ and two equivalent O2- atoms. Both O–O bond lengths are 1.47 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two O2- atoms. The O–O bond length is 1.45 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and one Br atom. The O–Br bond length is 1.69 Å. There are eight inequivalent Br sites. In the first Br site, Br is bonded to four K1+ and one Rh4+ atom to form distorted corner-sharing BrK4Rh square pyramids. In the second Br site, Br is bonded in a distorted L-shaped geometry to one K1+ and one Rh4+ atom. In the third Br site, Br is bonded in a distorted single-bond geometry to two equivalent K1+ and one Rh4+ atom. In the fourth Br site, Br is bonded in a 5-coordinate geometry to four K1+ and one Rh4+ atom. In the fifth Br site, Br is bonded to four K1+ and one Rh4+ atom to form distorted corner-sharing BrK4Rh square pyramids. In the sixth Br site, Br is bonded in a trigonal non-coplanar geometry to one Rh4+ and two equivalent O2- atoms. In the seventh Br site, Br is bonded in a distorted T-shaped geometry to two equivalent K1+ and one Rh4+ atom. In the eighth Br site, Br is bonded in a distorted single-bond geometry to two equivalent K1+ and one Rh4+ atom.
Fe3(O2Br)8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.92 Å) and two longer (2.01 Å) Fe–O bond length. In the second Fe site, Fe is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.93 Å) and two longer (1.98 Å) Fe–O bond length. In the third Fe site, Fe is bonded in a square co-planar geometry to four O and two equivalent Br atoms. There is two shorter (1.86 Å) and two longer (1.99 Å) Fe–O bond length. Both Fe–Br bond lengths are 3.01 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Fe and one Br atom. The O–Br bond length is 1.77 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Fe and one Br atom. The O–Br bond length is 1.77 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Fe and one Br atom. The O–Br bond length is 1.92 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Fe and one Br atom. The O–Br bond length is 1.84 Å. In the fifth O site, O is bonded in a 3-coordinate geometry to one Fe and two Br atoms. There are one shorter (2.15 Å) and one longer (2.33 Å) O–Br bond lengths. In the sixth O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.69 Å. In the seventh O site, O is bonded in a distorted single-bond geometry to one Br atom. The O–Br bond length is 1.70 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Fe and one Br atom. The O–Br bond length is 1.74 Å. There are four inequivalent Br sites. In the first Br site, Br is bonded in a water-like geometry to two O atoms. In the second Br site, Br is bonded in a distorted water-like geometry to two O atoms. In the third Br site, Br is bonded in a 4-coordinate geometry to one Fe and three O atoms. In the fourth Br site, Br is bonded in a linear geometry to two O atoms.
Long-term bed rest (BR), a model of spaceflight, results in a decrease in aerobic capacity and altered submaximal exercise responses. The strongest BR-induced effects on exercise appear to be centrally-mediated, but longer BR durations may result in peripheral adaptations (e.g., decreased mitochondrial and capillary density) which are likely to influence exercise responses. PURPOSE: To measure tissue oxygen saturation (SO2) and hydrogen ion concentration ([H+]) in the vastus lateralis (VL) using near infrared spectroscopy (NIRS) during cycle ergometry before and after . 30 d of BR. METHODS: Eight subjects performed a graded exercise test on a cycle ergometer to volitional fatigue 7 d before (pre-BR) and at the end or 1 day after BR (post-BR). NIRS spectra were collected from a sensor adhered to the skin overlying the VL. Oxygen consumption (VO2) was measured by open circuit spirometry. Blood volume (BV) was measured before and after BR using the carbon monoxide rebreathing technique. Changes in pre- and post-BR SO2 and [H+] data were compared using mixed model analyses. BV and peak exercise data were compared using paired t-tests. RESULTS: BV (pre-BR: 4.3+/-0.3, post-BR: 3.7+/-0.2 L, mean+/-SE, p=.01) and peak VO2 (pre-BR: 1.98+/-0.24, post-BR: 1.48 +/-0.21 L/min, p<.01) were reduced after BR. As expected, SO2 decreased with exercise before and after BR. However, SO2 was lower post compared with pre-BR throughout exercise, including at peak exercise (pre-BR: 50+/-3, post-BR: 43+/-4%, p=.01). After BR, [H+] was higher at the start of exercise and did not increase at the same rate as pre-BR. Peak [H+] was not different from pre to post-BR (pre-BR: 36+/-2; post-BR: 38+/-2 nmol/L). CONCLUSIONS: Lower SO2 during exercise suggests that oxygen extraction in the VL is higher after BR, perhaps due to lower circulating blood volume. The higher [H+] after BR suggests a greater reliance upon glycolysis during submaximal exercise, although [H+] at peak exercise was unchanged. Taken together, these data suggest that longer duration BR induces a number of changes that result in peripheral adaptations which contribute to cardiovascular and muscular deconditioning as measured by NIRS-derived SO2 and [H+] in the VL and may contribute to lower post-BR exercise tolerance. Supported by the National Space Biomedical Research Institute through NASA NCC 9-58
Pb13(O5Br3)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-six inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- and three Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.59 Å. There are a spread of Pb–Br bond distances ranging from 3.51–3.73 Å. In the second Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.38 Å. There are one shorter (3.41 Å) and one longer (3.54 Å) Pb–Br bond lengths. In the third Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two O2- and three Br1- atoms. There are one shorter (2.24 Å) and one longer (2.30 Å) Pb–O bond lengths. There are a spread of Pb–Br bond distances ranging from 3.12–3.51 Å. In the fourth Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two O2- and four Br1- atoms. Both Pb–O bond lengths are 2.29 Å. There are two shorter (3.12 Å) and two longer (3.61 Å) Pb–Br bond lengths. In the fifth Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.38 Å. There are one shorter (3.39 Å) and one longer (3.54 Å) Pb–Br bond lengths. In the sixth Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two O2- and one Br1- atom. There are one shorter (2.21 Å) and one longer (2.26 Å) Pb–O bond lengths. The Pb–Br bond length is 3.05 Å. In the seventh Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.38–2.48 Å. There are one shorter (3.64 Å) and one longer (3.67 Å) Pb–Br bond lengths. In the eighth Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.38 Å. There are one shorter (3.41 Å) and one longer (3.54 Å) Pb–Br bond lengths. In the ninth Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to four O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.91 Å. There are one shorter (3.49 Å) and one longer (3.55 Å) Pb–Br bond lengths. In the tenth Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two O2- and one Br1- atom. There are one shorter (2.21 Å) and one longer (2.26 Å) Pb–O bond lengths. The Pb–Br bond length is 3.02 Å. In the eleventh Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two O2- and three Br1- atoms. There are one shorter (2.24 Å) and one longer (2.31 Å) Pb–O bond lengths. There are a spread of Pb–Br bond distances ranging from 3.13–3.51 Å. In the twelfth Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two O2- and three Br1- atoms. There are one shorter (2.24 Å) and one longer (2.31 Å) Pb–O bond lengths. There are a spread of Pb–Br bond distances ranging from 3.12–3.52 Å. In the thirteenth Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- and three Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.58 Å. There are a spread of Pb–Br bond distances ranging from 3.56–3.70 Å. In the fourteenth Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two O2- and one Br1- atom. There are one shorter (2.21 Å) and one longer (2.25 Å) Pb–O bond lengths. The Pb–Br bond length is 3.03 Å. In the fifteenth Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two O2- and one Br1- atom. There are one shorter (2.21 Å) and one longer (2.26 Å) Pb–O bond lengths. The Pb–Br bond length is 3.05 Å. In the sixteenth Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.38–2.48 Å. There are one shorter (3.63 Å) and one longer (3.65 Å) Pb–Br bond lengths. In the seventeenth Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to four O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.33–2.95 Å. There are one shorter (3.47 Å) and one longer (3.52 Å) Pb–Br bond lengths. In the eighteenth Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two O2- and four Br1- atoms. Both Pb–O bond lengths are 2.29 Å. There are a spread of Pb–Br bond distances ranging from 3.11–3.60 Å. In the nineteenth Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- and three Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.58 Å. There are a spread of Pb–Br bond distances ranging from 3.53–3.72 Å. In the twentieth Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.38 Å. There are one shorter (3.41 Å) and one longer (3.53 Å) Pb–Br bond lengths. In the twenty-first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.39–2.47 Å. There are one shorter (3.61 Å) and one longer (3.66 Å) Pb–Br bond lengths. In the twenty-second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.38–2.48 Å. There are one shorter (3.61 Å) and one longer (3.66 Å) Pb–Br bond lengths. In the twenty-third Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to four O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.92 Å. There are one shorter (3.50 Å) and one longer (3.56 Å) Pb–Br bond lengths. In the twenty-fourth Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two O2- and three Br1- atoms. There are one shorter (2.24 Å) and one longer (2.31 Å) Pb–O bond lengths. There are a spread of Pb–Br bond distances ranging from 3.12–3.52 Å. In the twenty-fifth Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to four O2- and two Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.88 Å. There are one shorter (3.49 Å) and one longer (3.55 Å) Pb–Br bond lengths. In the twenty-sixth Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- and three Br1- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.58 Å. There are a spread of Pb–Br bond distances ranging from 3.55–3.71 Å. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the third O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to four Pb2+ atoms. In the fifth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to four Pb2+ atoms. In the seventh O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four Pb2+ atoms. In the ninth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the tenth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the eleventh O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the twelfth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the thirteenth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to four Pb2+ atoms. In the fifteenth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the sixteenth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the seventeenth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the eighteenth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the nineteenth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the twentieth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. There are twelve inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to five Pb2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two Pb2+ atoms. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to five Pb2+ atoms. In the fourth Br1- site, Br1- is bonded in a 2-coordinate geometry to two Pb2+ atoms. In the fifth Br1- site, Br1- is bonded in a 1-coordinate geometry to five Pb2+ atoms. In the sixth Br1- site, Br1- is bonded in a 8-coordinate geometry to eight Pb2+ atoms. In the seventh Br1- site, Br1- is bonded in a distorted body-centered cubic geometry to eight Pb2+ atoms. In the eighth Br1- site, Br1- is bonded in a 8-coordinate geometry to eight Pb2+ atoms. In the ninth Br1- site, Br1- is bonded in a 8-coordinate geometry to eight Pb2+ atoms. In the tenth Br1- site, Br1- is bonded in a 1-coordinate geometry to five Pb2+ atoms. In the eleventh Br1- site, Br1- is bonded in a 2-coordinate geometry to two Pb2+ atoms. In the twelfth Br1- site, Br1- is bonded in a 2-coordinate geometry to two Pb2+ atoms.
Bi24O31Br10 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three O2- and three Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.15 Å. There are a spread of Bi–Br bond distances ranging from 3.47–3.51 Å. In the second Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three O2- and three Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.17 Å. There are a spread of Bi–Br bond distances ranging from 3.45–3.66 Å. In the third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.43 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–3.10 Å. In the fifth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.32 Å. There are a spread of Bi–Br bond distances ranging from 3.49–3.53 Å. In the sixth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- and one Br1- atom. There are a spread of Bi–O bond distances ranging from 2.18–2.41 Å. The Bi–Br bond length is 3.59 Å. In the seventh Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- and two Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.80 Å. There are one shorter (3.33 Å) and one longer (3.58 Å) Bi–Br bond lengths. In the eighth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- and two Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.89 Å. There are one shorter (3.33 Å) and one longer (3.56 Å) Bi–Br bond lengths. In the ninth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and three Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.42 Å. There are a spread of Bi–Br bond distances ranging from 3.48–3.68 Å. In the tenth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and three Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.41 Å. There are a spread of Bi–Br bond distances ranging from 3.52–3.65 Å. In the eleventh Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.32 Å. There are a spread of Bi–Br bond distances ranging from 3.30–3.41 Å. In the twelfth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.29–2.32 Å. There are a spread of Bi–Br bond distances ranging from 3.37–3.48 Å. In the thirteenth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and two Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.29 Å. There are one shorter (3.39 Å) and one longer (3.40 Å) Bi–Br bond lengths. In the fourteenth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and three Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.29 Å. There are a spread of Bi–Br bond distances ranging from 3.39–3.64 Å. In the fifteenth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.37 Å. There are a spread of Bi–Br bond distances ranging from 3.51–3.62 Å. In the sixteenth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.39 Å. There are a spread of Bi–Br bond distances ranging from 3.43–3.59 Å. In the seventeenth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.73 Å. In the eighteenth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- and one Br1- atom. There are a spread of Bi–O bond distances ranging from 2.20–2.81 Å. The Bi–Br bond length is 3.55 Å. In the nineteenth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- and one Br1- atom. There are a spread of Bi–O bond distances ranging from 2.16–2.49 Å. The Bi–Br bond length is 3.68 Å. In the twentieth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and three Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.34 Å. There are a spread of Bi–Br bond distances ranging from 3.42–3.55 Å. In the twenty-first Bi3+ site, Bi3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–3.08 Å. In the twenty-second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.29–2.64 Å. In the twenty-third Bi3+ site, Bi3+ is bonded in a distorted L-shaped geometry to two O2- and three Br1- atoms. There are one shorter (2.07 Å) and one longer (2.09 Å) Bi–O bond lengths. There are a spread of Bi–Br bond distances ranging from 3.07–3.38 Å. In the twenty-fourth Bi3+ site, Bi3+ is bonded in a distorted L-shaped geometry to two O2- and four Br1- atoms. There are one shorter (2.07 Å) and one longer (2.10 Å) Bi–O bond lengths. There are a spread of Bi–Br bond distances ranging from 3.17–3.56 Å. There are thirty-one inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Bi3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ and one Br1- atom. The O–Br bond length is 3.65 Å. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to four Bi3+ and one Br1- atom. The O–Br bond length is 3.61 Å. In the sixth O2- site, O2- is bonded in a distorted tetrahedral geometry to four Bi3+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ and one Br1- atom. The O–Br bond length is 3.41 Å. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ and one Br1- atom. The O–Br bond length is 3.52 Å. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to four Bi3+ atoms. In the thirteenth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fourteenth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fifteenth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the sixteenth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the seventeenth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the eighteenth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the nineteenth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the twentieth O2- site, O2- is bonded to four Bi3+ and one Br1- atom to form a mixture of distorted edge and corner-sharing OBi4Br tetrahedra. The O–Br bond length is 3.68 Å. In the twenty-first O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the twenty-second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the twenty-seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Bi3+ atoms. In the twenty-eighth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the twenty-ninth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the thirtieth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ and one Br1- atom. The O–Br bond length is 3.58 Å. In the thirty-first O2- site, O2- is bonded in a 3-coordinate geometry to four Bi3+ atoms. There are ten inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 7-coordinate geometry to six Bi3+ and one O2- atom. In the second Br1- site, Br1- is bonded in a 7-coordinate geometry to six Bi3+ and one O2- atom. In the third Br1- site, Br1- is bonded in a 8-coordinate geometry to five Bi3+ atoms. In the fourth Br1- site, Br1- is bonded in a 8-coordinate geometry to eight Bi3+ and three O2- atoms. In the fifth Br1- site, Br1- is bonded in a 6-coordinate geometry to six Bi3+ atoms. In the sixth Br1- site, Br1- is bonded in a 6-coordinate geometry to six Bi3+ atoms. In the seventh Br1- site, Br1- is bonded in a 8-coordinate geometry to three Bi3+ atoms. In the eighth Br1- site, Br1- is bonded in a 9-coordinate geometry to eight Bi3+ and one O2- atom. In the ninth Br1- site, Br1- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the tenth Br1- site, Br1- is bonded in a 2-coordinate geometry to two Bi3+ atoms.