cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1678366
title: Materials Data on Nd3NiSn7 by Materials Project

description: Nd3NiSn7 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.31–3.42 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to four equivalent Ni and ten Sn atoms. All Nd–Ni bond lengths are 3.60 Å. There are a spread of Nd–Sn bond distances ranging from 3.38–3.64 Å. In the third Nd site, Nd is bonded to one Ni and twelve Sn atoms to form a mixture of distorted face and corner-sharing NdNiSn12 cuboctahedra. The Nd–Ni bond length is 3.50 Å. There are a spread of Nd–Sn bond distances ranging from 3.25–3.45 Å. Ni is bonded in a 5-coordinate geometry to five Nd and five Sn atoms. There are one shorter (2.48 Å) and four longer (2.54 Å) Ni–Sn bond lengths. There are seven inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Nd, one Ni, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.98 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four Nd and two equivalent Ni atoms. In the fourth Sn site, Sn is bonded in a 10-coordinate geometry to four Nd and six Sn atoms. There are four shorter (3.25 Å) and two longer (3.43 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 10-coordinate geometry to four Nd and six Sn atoms. Both Sn–Sn bond lengths are 3.42 Å. In the sixth Sn site, Sn is bonded in a 12-coordinate geometry to four Nd and two equivalent Ni atoms. In the seventh Sn site, Sn is bonded in a rectangular see-saw-like geometry to four equivalent Nd and four Sn atoms.
DOI: 10.17188/1678367
title: Materials Data on Na2GeS3O7 by Materials Project

description: Na2GeS3O7 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Na2GeS3O7 sheet oriented in the (0, 1, 0) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.59 Å. In the second Na1+ site, Na1+ is bonded to five O2- atoms to form distorted edge-sharing NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.20–2.81 Å. Ge4+ is bonded in a single-bond geometry to one O2- atom. The Ge–O bond length is 1.69 Å. There are three inequivalent S+2.67+ sites. In the first S+2.67+ site, S+2.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.47 Å) and one longer (1.49 Å) S–O bond length. In the second S+2.67+ site, S+2.67+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.48 Å) and one longer (1.71 Å) S–O bond length. In the third S+2.67+ site, S+2.67+ is bonded in a single-bond geometry to one O2- atom. The S–O bond length is 1.53 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Na1+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one S+2.67+, and one O2- atom. The O–O bond length is 1.38 Å. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one S+2.67+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and one O2- atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one S+2.67+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Na1+ and one S+2.67+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Na1+ and one S+2.67+ atom.
DOI: 10.17188/1678368
title: Materials Data on NaZr2SN2Cl by Materials Project

description: NaZr2N2SCl crystallizes in the trigonal R3m space group. The structure is three-dimensional. Na1+ is bonded to three equivalent S2- and three equivalent Cl1- atoms to form NaS3Cl3 octahedra that share corners with three equivalent ZrN4Cl3 trigonal pyramids, edges with six equivalent NaS3Cl3 octahedra, and edges with three equivalent ZrN4Cl3 trigonal pyramids. All Na–S bond lengths are 2.76 Å. All Na–Cl bond lengths are 2.84 Å. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to four N3- and three equivalent Cl1- atoms to form distorted ZrN4Cl3 trigonal pyramids that share corners with three equivalent NaS3Cl3 octahedra, edges with three equivalent NaS3Cl3 octahedra, and edges with six equivalent ZrN4Cl3 trigonal pyramids. The corner-sharing octahedral tilt angles are 3°. There are one shorter (2.07 Å) and three longer (2.15 Å) Zr–N bond lengths. All Zr–Cl bond lengths are 3.01 Å. In the second Zr4+ site, Zr4+ is bonded in a 7-coordinate geometry to four N3- and three equivalent S2- atoms. There are three shorter (2.20 Å) and one longer (2.34 Å) Zr–N bond lengths. All Zr–S bond lengths are 2.73 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Zr4+ atoms to form NZr4 tetrahedra that share corners with three equivalent SNa3Zr3 octahedra, corners with six equivalent NZr4 tetrahedra, edges with three equivalent SNa3Zr3 octahedra, and edges with three equivalent NZr4 trigonal pyramids. The corner-sharing octahedral tilt angles are 24°. In the second N3- site, N3- is bonded to four Zr4+ atoms to form distorted NZr4 trigonal pyramids that share corners with three equivalent SNa3Zr3 octahedra, corners with six equivalent NZr4 trigonal pyramids, and edges with three equivalent NZr4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. S2- is bonded to three equivalent Na1+ and three equivalent Zr4+ atoms to form distorted SNa3Zr3 octahedra that share corners with three equivalent NZr4 tetrahedra, corners with three equivalent NZr4 trigonal pyramids, edges with six equivalent SNa3Zr3 octahedra, and edges with three equivalent NZr4 tetrahedra. Cl1- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent Zr4+ atoms.
DOI: 10.17188/1678369
title: Materials Data on LiVCuO4 by Materials Project

description: LiCuVO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.17 Å) and two longer (2.64 Å) Li–O bond lengths. V5+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There is two shorter (1.69 Å) and two longer (1.84 Å) V–O bond length. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one V5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one V5+, and two equivalent Cu2+ atoms.
DOI: 10.17188/1678370
title: Materials Data on VS2 by Materials Project

description: VS2 is trigonal omega-like structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one VS2 sheet oriented in the (0, 0, 1) direction. V4+ is bonded to six equivalent S2- atoms to form edge-sharing VS6 octahedra. All V–S bond lengths are 2.36 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent V4+ atoms.
DOI: 10.17188/1678371
title: Materials Data on Sr2YbTaO6 by Materials Project

description: Sr2YbTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.20 Å. Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 14–24°. There are a spread of Yb–O bond distances ranging from 2.24–2.30 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 14–24°. There are a spread of Ta–O bond distances ranging from 1.94–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Yb3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sr2+, one Yb3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Sr2+, one Yb3+, and one Ta5+ atom.
DOI: 10.17188/1678372
title: Materials Data on RbInI3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1678373
title: Materials Data on AlCr3O8 by Materials Project

description: Cr3AlO8 is trigonal omega-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cr+4.33+ is bonded to six O2- atoms to form CrO6 octahedra that share edges with two equivalent AlO6 octahedra and edges with four equivalent CrO6 octahedra. There is four shorter (1.93 Å) and two longer (1.96 Å) Cr–O bond length. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share edges with six equivalent CrO6 octahedra. All Al–O bond lengths are 1.93 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Cr+4.33+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr+4.33+ and one Al3+ atom.
DOI: 10.17188/1678374
title: Materials Data on Ba2UHgO6 by Materials Project

description: Ba2UHgO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent UO6 octahedra, and faces with four equivalent HgO6 octahedra. All Ba–O bond lengths are 3.13 Å. U6+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent HgO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.08 Å. Hg2+ is bonded to six equivalent O2- atoms to form HgO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–O bond lengths are 2.34 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one U6+, and one Hg2+ atom.
DOI: 10.17188/1678375
title: Materials Data on CoSb(PO4)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1678376
title: Materials Data on Mo12P by Materials Project

description: PMo12 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are eight inequivalent Mo sites. In the first Mo site, Mo is bonded in a 12-coordinate geometry to eleven Mo and one P atom. There are a spread of Mo–Mo bond distances ranging from 2.64–3.19 Å. The Mo–P bond length is 2.65 Å. In the second Mo site, Mo is bonded in a 11-coordinate geometry to eleven Mo atoms. There are a spread of Mo–Mo bond distances ranging from 2.58–3.14 Å. In the third Mo site, Mo is bonded in a 11-coordinate geometry to eleven Mo atoms. There are a spread of Mo–Mo bond distances ranging from 2.52–3.07 Å. In the fourth Mo site, Mo is bonded in a 1-coordinate geometry to seven Mo and one P atom. There are a spread of Mo–Mo bond distances ranging from 2.68–2.91 Å. The Mo–P bond length is 2.37 Å. In the fifth Mo site, Mo is bonded in a 1-coordinate geometry to seven Mo and one P atom. There are a spread of Mo–Mo bond distances ranging from 2.71–2.98 Å. The Mo–P bond length is 2.35 Å. In the sixth Mo site, Mo is bonded to eleven Mo and one P atom to form distorted MoMo11P cuboctahedra that share corners with five MoMo11P cuboctahedra, corners with two equivalent PMo6 octahedra, edges with six MoMo11P cuboctahedra, and faces with two equivalent MoMo11P cuboctahedra. The corner-sharing octahedra tilt angles range from 50–58°. There are a spread of Mo–Mo bond distances ranging from 2.60–3.01 Å. The Mo–P bond length is 2.71 Å. In the seventh Mo site, Mo is bonded to eleven Mo and one P atom to form distorted MoMo11P cuboctahedra that share corners with five MoMo11P cuboctahedra, a cornercorner with one PMo6 octahedra, edges with six MoMo11P cuboctahedra, faces with two equivalent MoMo11P cuboctahedra, and a faceface with one PMo6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Mo–Mo bond length is 2.87 Å. The Mo–P bond length is 2.71 Å. In the eighth Mo site, Mo is bonded in a 11-coordinate geometry to eleven Mo atoms. Both Mo–Mo bond lengths are 2.77 Å. There are two inequivalent P sites. In the first P site, P is bonded to six Mo atoms to form PMo6 octahedra that share corners with nine MoMo11P cuboctahedra and faces with three equivalent MoMo11P cuboctahedra. In the second P site, P is bonded in a distorted q6 geometry to nine Mo atoms.
DOI: 10.17188/1678377
title: Materials Data on Na(CrS2)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1678378
title: Materials Data on Cr2N2O7 by Materials Project

description: Cr2O7N2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight ammonia molecules and four Cr2O7 clusters. In each Cr2O7 cluster, Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.62–1.79 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms.
DOI: 10.17188/1678380
title: Materials Data on Li2Cr2P2O7F2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1678381
title: Materials Data on LiH4CSNO2 by Materials Project

description: LiCNH4SO2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two LiCNH4SO2 ribbons oriented in the (1, 0, 0) direction. Li1+ is bonded to one N3- and four equivalent O2- atoms to form distorted edge-sharing LiNO4 square pyramids. The Li–N bond length is 2.03 Å. There are two shorter (2.12 Å) and two longer (2.14 Å) Li–O bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. N3- is bonded in a bent 150 degrees geometry to one Li1+ and one C4+ atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S2- is bonded in a single-bond geometry to one C4+ atom. O2- is bonded to two equivalent Li1+ and two H1+ atoms to form a mixture of distorted corner and edge-sharing OLi2H2 tetrahedra.
DOI: 10.17188/1678382
title: Materials Data on TbCO4 by Materials Project

description: TbCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.23–2.60 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.32 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Tb4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb4+ and one C4+ atom.
DOI: 10.17188/1678383
title: Materials Data on Y12InNi6 by Materials Project

description: Y12Ni6In crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to four equivalent Ni and one In atom. There are a spread of Y–Ni bond distances ranging from 2.67–3.53 Å. The Y–In bond length is 3.48 Å. Ni is bonded in a 2-coordinate geometry to eight equivalent Y and one Ni atom. The Ni–Ni bond length is 2.38 Å. In is bonded in a cuboctahedral geometry to twelve equivalent Y atoms.
DOI: 10.17188/1678384
title: Materials Data on ZnBi3 by Materials Project

description: ZnBi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zn is bonded to twelve equivalent Bi atoms to form ZnBi12 cuboctahedra that share corners with twelve equivalent ZnBi12 cuboctahedra, edges with twenty-four equivalent BiZn4Bi8 cuboctahedra, faces with six equivalent ZnBi12 cuboctahedra, and faces with twelve equivalent BiZn4Bi8 cuboctahedra. All Zn–Bi bond lengths are 3.45 Å. Bi is bonded to four equivalent Zn and eight equivalent Bi atoms to form BiZn4Bi8 cuboctahedra that share corners with twelve equivalent BiZn4Bi8 cuboctahedra, edges with eight equivalent ZnBi12 cuboctahedra, edges with sixteen equivalent BiZn4Bi8 cuboctahedra, faces with four equivalent ZnBi12 cuboctahedra, and faces with fourteen equivalent BiZn4Bi8 cuboctahedra. All Bi–Bi bond lengths are 3.45 Å.
DOI: 10.17188/1678385
title: Materials Data on Sm2InNi2 by Materials Project

description: Sm2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (2.93 Å) Sm–Ni bond lengths. All Sm–In bond lengths are 3.36 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Sm, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.53 Å. Both Ni–In bond lengths are 3.01 Å. In is bonded to eight equivalent Sm and four equivalent Ni atoms to form a mixture of corner and face-sharing InSm8Ni4 cuboctahedra.
DOI: 10.17188/1678387
title: Materials Data on BeBPt2 by Materials Project

description: BePt2B crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BePt2B ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Pt atoms. Both Be–Pt bond lengths are 2.22 Å. Pt is bonded in a linear geometry to one Be and one B atom. The Pt–B bond length is 1.88 Å. B is bonded in a linear geometry to two equivalent Pt atoms.
DOI: 10.17188/1678388
title: Materials Data on Dy2FeC4 by Materials Project

description: Dy2FeC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Dy3+ is bonded in a 7-coordinate geometry to seven C2- atoms. There are a spread of Dy–C bond distances ranging from 2.39–2.67 Å. Fe2+ is bonded to four equivalent C2- atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent CDy5C octahedra and edges with two equivalent FeC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 42°. All Fe–C bond lengths are 1.91 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded to five equivalent Dy3+ and one C2- atom to form distorted CDy5C octahedra that share corners with six equivalent CDy5C octahedra, corners with two equivalent FeC4 trigonal pyramids, and edges with seven equivalent CDy5C octahedra. The corner-sharing octahedra tilt angles range from 7–55°. The C–C bond length is 1.38 Å. In the second C2- site, C2- is bonded in a 5-coordinate geometry to two equivalent Dy3+, two equivalent Fe2+, and one C2- atom.
DOI: 10.17188/1678389
title: Materials Data on YGe2Pt by Materials Project

description: YPtGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to four equivalent Pt and ten Ge atoms. All Y–Pt bond lengths are 3.27 Å. There are a spread of Y–Ge bond distances ranging from 3.26–3.41 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to six equivalent Pt and eight Ge atoms. There are four shorter (3.23 Å) and two longer (3.29 Å) Y–Pt bond lengths. There are a spread of Y–Ge bond distances ranging from 3.02–3.08 Å. Pt is bonded in a 10-coordinate geometry to five Y and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.50–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Y, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.43 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Y, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.43 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Y, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.65 Å.
DOI: 10.17188/1678390
title: Materials Data on Cd2InCuTe4 by Materials Project

description: CuCd2InTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent InTe4 tetrahedra and corners with eight equivalent CdTe4 tetrahedra. All Cu–Te bond lengths are 2.63 Å. Cd2+ is bonded to four equivalent Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent CdTe4 tetrahedra, and corners with four equivalent InTe4 tetrahedra. All Cd–Te bond lengths are 2.86 Å. In3+ is bonded to four equivalent Te2- atoms to form InTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and corners with eight equivalent CdTe4 tetrahedra. All In–Te bond lengths are 2.85 Å. Te2- is bonded to one Cu1+, two equivalent Cd2+, and one In3+ atom to form corner-sharing TeCd2InCu tetrahedra.