Materials Data on NbI5 by Materials Project
NbI5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydriodic acid molecules and two tetraiodoniobium molecules.
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Materials Data on Nb24I35Br9 by Materials Project
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.
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Materials Data on Nb12I21Br by Materials Project
Nb12I21Br crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are twelve inequivalent Nb sites. In the first 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 2.89–2.91 Å. The Nb–Br bond length is 2.89 Å. In the second 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 2.89–2.96 Å. In the third 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 2.87–2.98 Å. In the fourth 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 2.87–2.98 Å. In the fifth 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 2.85–3.04 Å. In the sixth 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 2.85–3.04 Å. In the seventh 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 2.86–2.98 Å. In the eighth 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 2.86–2.90 Å. The Nb–Br bond length is 2.92 Å. In the ninth 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 2.88–2.99 Å. In the tenth 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 2.88–2.99 Å. In the eleventh 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 2.88–3.01 Å. In the twelfth 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 2.87–3.01 Å. There are twenty-one inequivalent I sites. In the first I site, I is bonded in a bent 120 degrees geometry to two Nb atoms. In the second I site, I is bonded in a bent 120 degrees geometry to two Nb atoms. In the third I site, I is bonded in a 3-coordinate geometry to three Nb atoms. In the fourth I site, I is bonded in a 3-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 3-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 3-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 bent 120 degrees geometry to two Nb atoms. In the twentieth I site, I is bonded in a bent 120 degrees geometry to two Nb atoms. In the twenty-first I site, I is bonded in a bent 150 degrees geometry to two Nb atoms. Br is bonded in a bent 150 degrees geometry to two Nb atoms.
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Materials Data on Nb6I11 by Materials Project
Nb6I11 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are six inequivalent Nb sites. In the first 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 2.87–3.04 Å. In the second 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 2.87–3.02 Å. In the 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 2.87–3.03 Å. In the fourth 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 2.88–3.05 Å. In the fifth 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 2.89–3.00 Å. In the sixth 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 2.88–3.01 Å. There are eleven 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 bent 150 degrees geometry to two Nb atoms. In the third I site, I is bonded in a 3-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 bent 120 degrees geometry to two 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 bent 120 degrees geometry to two Nb atoms. In the eleventh I site, I is bonded in a 3-coordinate geometry to three Nb atoms.
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Materials Data on CsNb6I11 by Materials Project
CsNb6I11 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Cs is bonded to twelve I atoms to form CsI12 cuboctahedra that share corners with twelve equivalent NbI5 square pyramids, faces with two equivalent CsI12 cuboctahedra, and faces with six equivalent NbI5 square pyramids. There are six shorter (4.26 Å) and six longer (4.42 Å) Cs–I bond lengths. Nb is bonded to five I atoms to form distorted NbI5 square pyramids that share corners with two equivalent CsI12 cuboctahedra, a cornercorner with one NbI5 square pyramid, edges with four equivalent NbI5 square pyramids, and a faceface with one CsI12 cuboctahedra. There are a spread of Nb–I bond distances ranging from 2.87–3.07 Å. There are three inequivalent I sites. In the first I site, I is bonded in a 4-coordinate geometry to one Cs and three equivalent Nb atoms. In the second I site, I is bonded in a distorted bent 120 degrees geometry to two equivalent Cs and two equivalent Nb atoms. In the third I site, I is bonded in a 3-coordinate geometry to three equivalent Nb atoms.
36 MATERIALS SCIENCE↗