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ThCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to two equivalent Th and twelve equivalent Cd atoms. Both Th–Th bond lengths are 3.38 Å. All Th–Cd bond lengths are 3.42 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Th and five equivalent Cd atoms. There are three shorter (2.97 Å) and two longer (3.38 Å) Cd–Cd bond lengths.
YCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded to twelve equivalent Cd atoms to form a mixture of distorted face and edge-sharing YCd12 cuboctahedra. All Y–Cd bond lengths are 3.36 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Y and five equivalent Cd atoms. There are three shorter (2.87 Å) and two longer (3.49 Å) Cd–Cd bond lengths.
CaCd2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve equivalent Cd atoms. There are a spread of Ca–Cd bond distances ranging from 3.38–3.52 Å. Cd is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.91–3.23 Å.
Cd2Pr crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded to two equivalent Pr and twelve equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing PrPr2Cd12 cuboctahedra. Both Pr–Pr bond lengths are 3.50 Å. All Pr–Cd bond lengths are 3.44 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Pr and five equivalent Cd atoms. There are three shorter (2.96 Å) and two longer (3.50 Å) Cd–Cd bond lengths.
Cd3AsCl3 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to one As3- and five Cl1- atoms to form distorted CdAsCl5 octahedra that share corners with eight CdAsCl5 octahedra and edges with two equivalent CdAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. The Cd–As bond length is 2.59 Å. There are a spread of Cd–Cl bond distances ranging from 2.54–3.20 Å. In the second Cd2+ site, Cd2+ is bonded to two equivalent As3- and four Cl1- atoms to form a mixture of corner and edge-sharing CdAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 48–57°. Both Cd–As bond lengths are 2.57 Å. There are two shorter (3.16 Å) and two longer (3.24 Å) Cd–Cl bond lengths. In the third Cd2+ site, Cd2+ is bonded in a rectangular see-saw-like geometry to one As3- and three Cl1- atoms. The Cd–As bond length is 2.57 Å. There are two shorter (2.59 Å) and one longer (2.68 Å) Cd–Cl bond lengths. As3- is bonded to four Cd2+ atoms to form corner-sharing AsCd4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to four Cd2+ atoms.
BaCdBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to eight Bi atoms. There are four shorter (3.64 Å) and four longer (3.71 Å) Ba–Bi bond lengths. In the second Ba site, Ba is bonded in a 12-coordinate geometry to eight Bi atoms. There are four shorter (3.64 Å) and four longer (3.71 Å) Ba–Bi bond lengths. In the third Ba site, Ba is bonded in a 12-coordinate geometry to eight Bi atoms. There are four shorter (3.64 Å) and four longer (3.71 Å) Ba–Bi bond lengths. Cd is bonded to four Bi atoms to form a mixture of distorted corner and edge-sharing CdBi4 tetrahedra. All Cd–Bi bond lengths are 3.08 Å. There are seven inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.37 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Cd atoms. In the third Bi site, Bi is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Bi atoms. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Cd atoms. In the fifth Bi site, Bi is bonded in a distorted body-centered cubic geometry to four Ba and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.37 Å. In the sixth Bi site, Bi is bonded in a distorted body-centered cubic geometry to four Ba and four equivalent Bi atoms. In the seventh Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Cd atoms. All Bi–Cd bond lengths are 3.08 Å.
EuCd2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to twelve equivalent Cd atoms. There are a spread of Eu–Cd bond distances ranging from 3.42–3.65 Å. Cd is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Cd atoms. There are three shorter (2.93 Å) and one longer (3.07 Å) Cd–Cd bond lengths.
MgCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Cd atoms to form MgCd12 cuboctahedra that share corners with six equivalent MgCd12 cuboctahedra, corners with twelve equivalent CdMg4Cd8 cuboctahedra, edges with eighteen equivalent CdMg4Cd8 cuboctahedra, faces with eight equivalent MgCd12 cuboctahedra, and faces with twelve equivalent CdMg4Cd8 cuboctahedra. There are six shorter (3.12 Å) and six longer (3.18 Å) Mg–Cd bond lengths. Cd is bonded to four equivalent Mg and eight equivalent Cd atoms to form distorted CdMg4Cd8 cuboctahedra that share corners with four equivalent MgCd12 cuboctahedra, corners with fourteen equivalent CdMg4Cd8 cuboctahedra, edges with six equivalent MgCd12 cuboctahedra, edges with twelve equivalent CdMg4Cd8 cuboctahedra, faces with four equivalent MgCd12 cuboctahedra, and faces with sixteen equivalent CdMg4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.12–3.19 Å.
ScCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Cd atoms to form ScCd12 cuboctahedra that share corners with six equivalent ScCd12 cuboctahedra, corners with twelve equivalent CdSc4Cd8 cuboctahedra, edges with eighteen equivalent CdSc4Cd8 cuboctahedra, faces with eight equivalent ScCd12 cuboctahedra, and faces with twelve equivalent CdSc4Cd8 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.20 Å) Sc–Cd bond lengths. Cd is bonded to four equivalent Sc and eight equivalent Cd atoms to form distorted CdSc4Cd8 cuboctahedra that share corners with four equivalent ScCd12 cuboctahedra, corners with fourteen equivalent CdSc4Cd8 cuboctahedra, edges with six equivalent ScCd12 cuboctahedra, edges with twelve equivalent CdSc4Cd8 cuboctahedra, faces with four equivalent ScCd12 cuboctahedra, and faces with sixteen equivalent CdSc4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.07–3.21 Å.
SmCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded to two equivalent Sm and twelve equivalent Cd atoms to form a mixture of distorted corner, edge, and face-sharing SmSm2Cd12 cuboctahedra. Both Sm–Sm bond lengths are 3.48 Å. All Sm–Cd bond lengths are 3.39 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Sm and five equivalent Cd atoms. There are three shorter (2.92 Å) and two longer (3.48 Å) Cd–Cd bond lengths.
TbCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Cd atoms to form a mixture of distorted edge and face-sharing TbCd12 cuboctahedra. All Tb–Cd bond lengths are 3.36 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Tb and five equivalent Cd atoms. There are three shorter (2.88 Å) and two longer (3.46 Å) Cd–Cd bond lengths.
TiCd crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cd atoms to form TiTi8Cd4 cuboctahedra that share corners with four equivalent TiTi8Cd4 cuboctahedra, corners with eight equivalent CdTi4Cd8 cuboctahedra, edges with eight equivalent TiTi8Cd4 cuboctahedra, edges with sixteen equivalent CdTi4Cd8 cuboctahedra, faces with six equivalent CdTi4Cd8 cuboctahedra, and faces with twelve equivalent TiTi8Cd4 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.91 Å) Ti–Ti bond lengths. All Ti–Cd bond lengths are 3.12 Å. Cd is bonded to four equivalent Ti and eight equivalent Cd atoms to form CdTi4Cd8 cuboctahedra that share corners with four equivalent CdTi4Cd8 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with eight equivalent CdTi4Cd8 cuboctahedra, edges with sixteen equivalent TiTi8Cd4 cuboctahedra, faces with six equivalent TiTi8Cd4 cuboctahedra, and faces with twelve equivalent CdTi4Cd8 cuboctahedra. There are four shorter (2.91 Å) and four longer (3.22 Å) Cd–Cd bond lengths.
Ti2Cd is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cd atoms to form TiTi8Cd4 cuboctahedra that share corners with four equivalent CdTi8Cd4 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with twelve equivalent TiTi8Cd4 cuboctahedra, edges with twelve equivalent CdTi8Cd4 cuboctahedra, faces with five equivalent CdTi8Cd4 cuboctahedra, and faces with thirteen equivalent TiTi8Cd4 cuboctahedra. There are four shorter (2.81 Å) and four longer (2.86 Å) Ti–Ti bond lengths. All Ti–Cd bond lengths are 3.15 Å. Cd is bonded to eight equivalent Ti and four equivalent Cd atoms to form CdTi8Cd4 cuboctahedra that share corners with four equivalent CdTi8Cd4 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with twenty-four equivalent TiTi8Cd4 cuboctahedra, faces with eight equivalent CdTi8Cd4 cuboctahedra, and faces with ten equivalent TiTi8Cd4 cuboctahedra. All Cd–Cd bond lengths are 2.86 Å.
CaCdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to six equivalent Cd and five Pb atoms. There are two shorter (3.50 Å) and four longer (3.77 Å) Ca–Cd bond lengths. There are one shorter (3.34 Å) and four longer (3.36 Å) Ca–Pb bond lengths. Cd is bonded in a 4-coordinate geometry to six equivalent Ca and four Pb atoms. There are two shorter (3.00 Å) and two longer (3.11 Å) Cd–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted q6 geometry to three equivalent Ca and six equivalent Cd atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Cd atoms.
K2Cd2Te3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.45–3.91 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of K–Te bond distances ranging from 3.47–3.89 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of K–Te bond distances ranging from 3.53–4.27 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.44–3.97 Å. In the fifth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of K–Te bond distances ranging from 3.67–4.05 Å. In the sixth K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.51–4.01 Å. There are six inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CdTe4 tetrahedra. There are one shorter (2.89 Å) and three longer (2.90 Å) Cd–Te bond lengths. In the second Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.83–3.10 Å. In the third Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.85–2.95 Å. In the fourth Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.81–3.02 Å. In the fifth Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.87–2.92 Å. In the sixth Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.81–3.06 Å. There are nine inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to five K1+ and three Cd2+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to four K1+ and two Cd2+ atoms. In the third Te2- site, Te2- is bonded in a 7-coordinate geometry to four K1+ and three Cd2+ atoms. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to five K1+ and two Cd2+ atoms. In the fifth Te2- site, Te2- is bonded to four K1+ and two Cd2+ atoms to form distorted TeK4Cd2 pentagonal pyramids that share a cornercorner with one TeK4Cd3 pentagonal bipyramid, an edgeedge with one TeK4Cd3 pentagonal bipyramid, and an edgeedge with one TeK4Cd2 pentagonal pyramid. In the sixth Te2- site, Te2- is bonded to four K1+ and three Cd2+ atoms to form a mixture of distorted face and edge-sharing TeK4Cd3 pentagonal bipyramids. In the seventh Te2- site, Te2- is bonded to four K1+ and three Cd2+ atoms to form distorted TeK4Cd3 pentagonal bipyramids that share a cornercorner with one TeK4Cd2 pentagonal pyramid, an edgeedge with one TeK4Cd3 pentagonal bipyramid, an edgeedge with one TeK4Cd2 pentagonal pyramid, and faces with two equivalent TeK4Cd3 pentagonal bipyramids. In the eighth Te2- site, Te2- is bonded in a 7-coordinate geometry to four K1+ and three Cd2+ atoms. In the ninth Te2- site, Te2- is bonded in a 6-coordinate geometry to three K1+ and three Cd2+ atoms.
CeCd2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce is bonded to two equivalent Ce and six equivalent Cd atoms to form CeCe2Cd6 hexagonal bipyramids that share corners with two equivalent CeCe2Cd6 hexagonal bipyramids, corners with six equivalent CdCe3Cd5 hexagonal bipyramids, edges with six equivalent CeCe2Cd6 hexagonal bipyramids, and edges with eighteen equivalent CdCe3Cd5 hexagonal bipyramids. Both Ce–Ce bond lengths are 3.09 Å. All Ce–Cd bond lengths are 3.24 Å. Cd is bonded to three equivalent Ce and five equivalent Cd atoms to form distorted CdCe3Cd5 hexagonal bipyramids that share corners with three equivalent CeCe2Cd6 hexagonal bipyramids, corners with five equivalent CdCe3Cd5 hexagonal bipyramids, edges with nine equivalent CeCe2Cd6 hexagonal bipyramids, and edges with fifteen equivalent CdCe3Cd5 hexagonal bipyramids. There are two shorter (3.09 Å) and three longer (3.25 Å) Cd–Cd bond lengths.
Cd3AsI3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to one As3- and three I1- atoms to form corner-sharing CdAsI3 tetrahedra. The Cd–As bond length is 2.59 Å. There are one shorter (2.84 Å) and two longer (2.99 Å) Cd–I bond lengths. In the second Cd2+ site, Cd2+ is bonded to two equivalent As3- and two I1- atoms to form corner-sharing CdAs2I2 tetrahedra. Both Cd–As bond lengths are 2.60 Å. There are one shorter (3.02 Å) and one longer (3.09 Å) Cd–I bond lengths. In the third Cd2+ site, Cd2+ is bonded to one As3- and three I1- atoms to form corner-sharing CdAsI3 tetrahedra. The Cd–As bond length is 2.59 Å. There are one shorter (2.86 Å) and two longer (2.96 Å) Cd–I bond lengths. As3- is bonded to four Cd2+ atoms to form corner-sharing AsCd4 tetrahedra. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three Cd2+ atoms. In the second I1- site, I1- is bonded in a trigonal non-coplanar geometry to three Cd2+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two Cd2+ atoms.
CdSnAs2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four As3- atoms to form corner-sharing CdAs4 tetrahedra. There are three shorter (2.72 Å) and one longer (2.74 Å) Cd–As bond lengths. In the second Cd2+ site, Cd2+ is bonded to four As3- atoms to form CdAs4 trigonal pyramids that share corners with three equivalent CdAs4 tetrahedra, corners with three equivalent SnAs4 tetrahedra, and corners with six equivalent CdAs4 trigonal pyramids. There are a spread of Cd–As bond distances ranging from 2.66–2.86 Å. In the third Cd2+ site, Cd2+ is bonded to four As3- atoms to form corner-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.70–2.74 Å. In the fourth Cd2+ site, Cd2+ is bonded to four As3- atoms to form corner-sharing CdAs4 tetrahedra. There are three shorter (2.71 Å) and one longer (2.72 Å) Cd–As bond lengths. In the fifth Cd2+ site, Cd2+ is bonded to four As3- atoms to form corner-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.70–2.75 Å. In the sixth Cd2+ site, Cd2+ is bonded to four As3- atoms to form CdAs4 tetrahedra that share corners with three equivalent SnAs4 tetrahedra and corners with nine CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.70–2.72 Å. There are six inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four As3- atoms to form SnAs4 tetrahedra that share corners with three equivalent CdAs4 tetrahedra and corners with nine SnAs4 tetrahedra. There are a spread of Sn–As bond distances ranging from 2.61–2.87 Å. In the second Sn4+ site, Sn4+ is bonded to four As3- atoms to form corner-sharing SnAs4 tetrahedra. There are three shorter (2.71 Å) and one longer (2.72 Å) Sn–As bond lengths. In the third Sn4+ site, Sn4+ is bonded to four As3- atoms to form corner-sharing SnAs4 tetrahedra. All Sn–As bond lengths are 2.72 Å. In the fourth Sn4+ site, Sn4+ is bonded to four As3- atoms to form corner-sharing SnAs4 tetrahedra. There are a spread of Sn–As bond distances ranging from 2.71–2.73 Å. In the fifth Sn4+ site, Sn4+ is bonded to four As3- atoms to form corner-sharing SnAs4 tetrahedra. There are three shorter (2.71 Å) and one longer (2.73 Å) Sn–As bond lengths. In the sixth Sn4+ site, Sn4+ is bonded to four As3- atoms to form SnAs4 tetrahedra that share corners with nine SnAs4 tetrahedra and corners with three equivalent CdAs4 trigonal pyramids. There are a spread of Sn–As bond distances ranging from 2.75–2.84 Å. There are twelve inequivalent As3- sites. In the first As3- site, As3- is bonded to four Sn4+ atoms to form corner-sharing AsSn4 tetrahedra. In the second As3- site, As3- is bonded to four Sn4+ atoms to form corner-sharing AsSn4 tetrahedra. In the third As3- site, As3- is bonded to four Sn4+ atoms to form corner-sharing AsSn4 tetrahedra. In the fourth As3- site, As3- is bonded to four Sn4+ atoms to form corner-sharing AsSn4 tetrahedra. In the fifth As3- site, As3- is bonded to four Sn4+ atoms to form corner-sharing AsSn4 tetrahedra. In the sixth As3- site, As3- is bonded to one Cd2+ and three equivalent Sn4+ atoms to form AsCdSn3 tetrahedra that share corners with nine AsSn4 tetrahedra and corners with three equivalent AsCd4 trigonal pyramids. In the seventh As3- site, As3- is bonded to four Cd2+ atoms to form AsCd4 trigonal pyramids that share corners with six AsCdSn3 tetrahedra and corners with six equivalent AsCd4 trigonal pyramids. In the eighth As3- site, As3- is bonded to four Cd2+ atoms to form corner-sharing AsCd4 tetrahedra. In the ninth As3- site, As3- is bonded to four Cd2+ atoms to form corner-sharing AsCd4 tetrahedra. In the tenth As3- site, As3- is bonded to four Cd2+ atoms to form corner-sharing AsCd4 tetrahedra. In the eleventh As3- site, As3- is bonded to four Cd2+ atoms to form corner-sharing AsCd4 tetrahedra. In the twelfth As3- site, As3- is bonded to three equivalent Cd2+ and one Sn4+ atom to form corner-sharing AsCd3Sn tetrahedra.