cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1313113
title: Materials Data on ZrSnTe by Materials Project

description: ZrSnTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded in a 9-coordinate geometry to four equivalent Sn and five equivalent Te atoms. All Zr–Sn bond lengths are 3.10 Å. There are four shorter (3.08 Å) and one longer (3.13 Å) Zr–Te bond lengths. Sn is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Sn atoms. All Sn–Sn bond lengths are 2.91 Å. Te is bonded in a 5-coordinate geometry to five equivalent Zr atoms.
DOI: 10.17188/1313114
title: Materials Data on ZrCo2 by Materials Project

description: ZrCo2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Co atoms. All Zr–Co bond lengths are 2.86 Å. Co is bonded to six equivalent Zr and six equivalent Co atoms to form a mixture of edge, face, and corner-sharing CoZr6Co6 cuboctahedra. All Co–Co bond lengths are 2.44 Å.
DOI: 10.17188/1313115
title: Materials Data on EuGeAu by Materials Project

description: EuAuGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are two shorter (3.17 Å) and four longer (3.25 Å) Eu–Au bond lengths. There are two shorter (3.26 Å) and four longer (3.44 Å) Eu–Ge bond lengths. In the second Eu site, Eu is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are four shorter (3.29 Å) and two longer (3.36 Å) Eu–Au bond lengths. There are four shorter (3.15 Å) and two longer (3.32 Å) Eu–Ge bond lengths. Au is bonded in a 10-coordinate geometry to six Eu, one Au, and three equivalent Ge atoms. The Au–Au bond length is 3.24 Å. There are two shorter (2.69 Å) and one longer (2.73 Å) Au–Ge bond lengths. Ge is bonded in a 3-coordinate geometry to six Eu, three equivalent Au, and one Ge atom. The Ge–Ge bond length is 2.80 Å.
DOI: 10.17188/1313116
title: Materials Data on TaCu3Te4 by Materials Project

description: TaCu3Te4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ta5+ is bonded to four equivalent Te2- atoms to form TaTe4 tetrahedra that share edges with six equivalent CuTe4 tetrahedra. All Ta–Te bond lengths are 2.67 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with eight equivalent CuTe4 tetrahedra and edges with two equivalent TaTe4 tetrahedra. All Cu–Te bond lengths are 2.62 Å. Te2- is bonded to one Ta5+ and three equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing TeTaCu3 tetrahedra.
DOI: 10.17188/1313117
title: Materials Data on Ba(AuO2)2 by Materials Project

description: BaAu2O4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.80 Å) and four longer (2.81 Å) Ba–O bond lengths. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Au3+ atoms to form a mixture of distorted edge and corner-sharing OBa2Au2 tetrahedra.
DOI: 10.17188/1313119
title: Materials Data on Sr(AuO2)2 by Materials Project

description: SrAu2O4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.63 Å) and four longer (2.68 Å) Sr–O bond lengths. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Sr2+ and two equivalent Au3+ atoms to form a mixture of corner and edge-sharing OSr2Au2 tetrahedra.
DOI: 10.17188/1313120
title: Materials Data on U by Materials Project

description: U is beta Uranium structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are five inequivalent U sites. In the first U site, U is bonded to twelve U atoms to form a mixture of corner, edge, and face-sharing UU12 cuboctahedra. There are a spread of U–U bond distances ranging from 2.83–3.27 Å. In the second U site, U is bonded in a 2-coordinate geometry to eight U atoms. There are two shorter (2.70 Å) and four longer (3.31 Å) U–U bond lengths. In the third U site, U is bonded in a 2-coordinate geometry to fourteen U atoms. There are a spread of U–U bond distances ranging from 2.81–3.55 Å. In the fourth U site, U is bonded to twelve U atoms to form a mixture of distorted corner, edge, and face-sharing UU12 cuboctahedra. There are a spread of U–U bond distances ranging from 3.04–3.10 Å. In the fifth U site, U is bonded in a 1-coordinate geometry to ten U atoms. The U–U bond length is 2.55 Å.
DOI: 10.17188/1313121
title: Materials Data on ZrP by Materials Project

description: ZrP is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr3+ is bonded to six equivalent P3- atoms to form a mixture of edge and corner-sharing ZrP6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–P bond lengths are 2.65 Å. P3- is bonded to six equivalent Zr3+ atoms to form a mixture of edge and corner-sharing PZr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313122
title: Materials Data on DyCuSeO by Materials Project

description: DyOCuSe is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Dy–Se bond lengths are 3.21 Å. All Dy–O bond lengths are 2.25 Å. Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.52 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent Dy3+ and four equivalent Cu1+ atoms. O2- is bonded to four equivalent Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra.
DOI: 10.17188/1313123
title: Materials Data on Mn4As3 by Materials Project

description: Mn4As3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Mn+2.25+ sites. In the first Mn+2.25+ site, Mn+2.25+ is bonded to six As3- atoms to form MnAs6 octahedra that share corners with four equivalent MnAs6 octahedra, corners with six equivalent MnAs5 square pyramids, corners with two equivalent MnAs5 trigonal bipyramids, edges with four equivalent MnAs6 octahedra, edges with three equivalent MnAs5 trigonal bipyramids, a faceface with one MnAs6 octahedra, and a faceface with one MnAs5 square pyramid. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Mn–As bond distances ranging from 2.46–2.57 Å. In the second Mn+2.25+ site, Mn+2.25+ is bonded to five As3- atoms to form MnAs5 trigonal bipyramids that share corners with four MnAs6 octahedra, corners with six equivalent MnAs5 square pyramids, edges with three equivalent MnAs6 octahedra, edges with two equivalent MnAs5 square pyramids, and edges with four equivalent MnAs5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 21–49°. There are a spread of Mn–As bond distances ranging from 2.46–2.56 Å. In the third Mn+2.25+ site, Mn+2.25+ is bonded to five As3- atoms to form MnAs5 square pyramids that share corners with six equivalent MnAs6 octahedra, corners with six equivalent MnAs5 trigonal bipyramids, edges with two equivalent MnAs6 octahedra, edges with two equivalent MnAs5 square pyramids, edges with two equivalent MnAs5 trigonal bipyramids, and a faceface with one MnAs6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Mn–As bond distances ranging from 2.46–2.49 Å. In the fourth Mn+2.25+ site, Mn+2.25+ is bonded in a square co-planar geometry to four As3- atoms. There are two shorter (2.46 Å) and two longer (2.51 Å) Mn–As bond lengths. In the fifth Mn+2.25+ site, Mn+2.25+ is bonded to six As3- atoms to form MnAs6 octahedra that share corners with eight equivalent MnAs6 octahedra, corners with four equivalent MnAs5 trigonal bipyramids, edges with two equivalent MnAs6 octahedra, edges with four equivalent MnAs5 square pyramids, and faces with two equivalent MnAs6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are two shorter (2.50 Å) and four longer (2.56 Å) Mn–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 7-coordinate geometry to seven Mn+2.25+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to eight Mn+2.25+ atoms. In the third As3- site, As3- is bonded in a 6-coordinate geometry to six Mn+2.25+ atoms.
DOI: 10.17188/1313124
title: Materials Data on Sr2ZnN2 by Materials Project

description: Sr2ZnN2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to five equivalent N3- atoms to form a mixture of corner and edge-sharing SrN5 square pyramids. There are one shorter (2.55 Å) and four longer (2.75 Å) Sr–N bond lengths. Zn2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Zn–N bond lengths are 1.85 Å. N3- is bonded to five equivalent Sr2+ and one Zn2+ atom to form a mixture of distorted corner and edge-sharing NSr5Zn octahedra. The corner-sharing octahedra tilt angles range from 0–8°.
DOI: 10.17188/1313125
title: Materials Data on Ba2ZnN2 by Materials Project

description: Ba2ZnN2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent N3- atoms to form a mixture of edge and corner-sharing BaN5 square pyramids. There are one shorter (2.65 Å) and four longer (2.99 Å) Ba–N bond lengths. Zn2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Zn–N bond lengths are 1.85 Å. N3- is bonded to five equivalent Ba2+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing NBa5Zn octahedra. The corner-sharing octahedra tilt angles range from 0–7°.
DOI: 10.17188/1313126
title: Materials Data on Li4ZrF8 by Materials Project

description: Li4ZrF8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six F1- atoms to form a mixture of corner and edge-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 23–47°. There are a spread of Li–F bond distances ranging from 1.97–2.07 Å. In the second Li1+ site, Li1+ is bonded to six F1- atoms to form a mixture of distorted corner and edge-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 20–66°. There are a spread of Li–F bond distances ranging from 1.96–2.22 Å. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.06–2.29 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal non-coplanar geometry to two equivalent Li1+ and one Zr4+ atom. In the second F1- site, F1- is bonded in a 5-coordinate geometry to four Li1+ and one Zr4+ atom. In the third F1- site, F1- is bonded in a rectangular see-saw-like geometry to three Li1+ and one Zr4+ atom. In the fourth F1- site, F1- is bonded in a trigonal non-coplanar geometry to two equivalent Li1+ and one Zr4+ atom. In the fifth F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one Zr4+ atom.
DOI: 10.17188/1313127
title: Materials Data on CsTa(BO3)2 by Materials Project

description: CsTaOB2O5 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.16–3.40 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Ta–O bond distances ranging from 1.88–2.09 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.36 Å) and one longer (1.41 Å) B–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Cs1+, one Ta5+, and one B3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Ta5+, and one B3+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Cs1+ and two equivalent B3+ atoms.
DOI: 10.17188/1313128
title: Materials Data on PrNiC2 by Materials Project

description: PrNiC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight equivalent C+2.50- atoms. There are four shorter (2.77 Å) and four longer (2.80 Å) Pr–C bond lengths. Ni2+ is bonded in a 4-coordinate geometry to four equivalent C+2.50- atoms. There are two shorter (1.97 Å) and two longer (2.03 Å) Ni–C bond lengths. C+2.50- is bonded in a 7-coordinate geometry to four equivalent Pr3+, two equivalent Ni2+, and one C+2.50- atom. The C–C bond length is 1.36 Å.
DOI: 10.17188/1313129
title: Materials Data on KZrCuS3 by Materials Project

description: KCuZrS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.20–3.49 Å. Zr4+ is bonded to six S2- atoms to form ZrS6 octahedra that share corners with two equivalent ZrS6 octahedra, edges with two equivalent ZrS6 octahedra, and edges with four equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are four shorter (2.60 Å) and two longer (2.63 Å) Zr–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent CuS4 tetrahedra and edges with four equivalent ZrS6 octahedra. There are two shorter (2.29 Å) and two longer (2.34 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Zr4+, and two equivalent Cu1+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent K1+, two equivalent Zr4+, and one Cu1+ atom.
DOI: 10.17188/1313130
title: Materials Data on KZrCuSe3 by Materials Project

description: KCuZrSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.34–3.65 Å. Zr4+ is bonded to six Se2- atoms to form ZrSe6 octahedra that share corners with two equivalent ZrSe6 octahedra, edges with two equivalent ZrSe6 octahedra, and edges with four equivalent CuSe4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are four shorter (2.73 Å) and two longer (2.76 Å) Zr–Se bond lengths. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with two equivalent CuSe4 tetrahedra and edges with four equivalent ZrSe6 octahedra. There are two shorter (2.42 Å) and two longer (2.46 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent K1+, two equivalent Zr4+, and one Cu1+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Zr4+, and two equivalent Cu1+ atoms.
DOI: 10.17188/1313131
title: Materials Data on Ba2PrPtO6 by Materials Project

description: Ba2PrPtO6 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 PrO6 octahedra, and faces with four equivalent PtO6 octahedra. All Ba–O bond lengths are 3.06 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent PtO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–O bond lengths are 2.32 Å. Pt5+ is bonded to six equivalent O2- atoms to form PtO6 octahedra that share corners with six equivalent PrO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–O bond lengths are 2.00 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Pr3+, and one Pt5+ atom.
DOI: 10.17188/1313132
title: Materials Data on Ba2HfS4 by Materials Project

description: Ba2HfS4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.11–3.53 Å. Hf4+ is bonded to six S2- atoms to form corner-sharing HfS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.48 Å) and two longer (2.57 Å) Hf–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Ba2+ and one Hf4+ atom to form distorted SBa5Hf octahedra that share corners with seventeen SBa5Hf octahedra, edges with eight equivalent SBa5Hf octahedra, and faces with four equivalent SBa4Hf2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the second S2- site, S2- is bonded to four equivalent Ba2+ and two equivalent Hf4+ atoms to form distorted SBa4Hf2 octahedra that share corners with fourteen SBa5Hf octahedra, edges with two equivalent SBa4Hf2 octahedra, and faces with eight SBa5Hf octahedra. The corner-sharing octahedra tilt angles range from 0–54°.
DOI: 10.17188/1313133
title: Materials Data on Rb2Sn2Se5 by Materials Project

description: Rb2Sn2Se5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.47–4.20 Å. Sn4+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing SnSe5 trigonal bipyramids. There are a spread of Sn–Se bond distances ranging from 2.57–2.86 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Sn4+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Sn4+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1313134
title: Materials Data on Tb2S3 by Materials Project

description: Tb2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.84–3.34 Å. In the second Tb3+ site, Tb3+ is bonded to seven S2- atoms to form a mixture of distorted corner and edge-sharing TbS7 pentagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.76–2.83 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. In the second S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted corner and edge-sharing STb5 square pyramids. In the third S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted corner and edge-sharing STb5 trigonal bipyramids.
DOI: 10.17188/1313135
title: Materials Data on Ba3MnN3 by Materials Project

description: Ba3MnN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent N3- atoms to form a mixture of distorted edge and corner-sharing BaN5 trigonal bipyramids. There are a spread of Ba–N bond distances ranging from 2.84–3.27 Å. Mn3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Mn–N bond lengths are 1.73 Å. N3- is bonded in a distorted single-bond geometry to five equivalent Ba2+ and one Mn3+ atom.
DOI: 10.17188/1313136
title: Materials Data on Sr3MnN3 by Materials Project

description: Sr3MnN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sr2+ is bonded to five equivalent N3- atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.67–2.89 Å. Mn3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Mn–N bond lengths are 1.74 Å. N3- is bonded to five equivalent Sr2+ and one Mn3+ atom to form a mixture of distorted corner and edge-sharing NSr5Mn octahedra. The corner-sharing octahedra tilt angles range from 20–44°.
DOI: 10.17188/1313137
title: Materials Data on YAs by Materials Project

description: YAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent As3- atoms to form a mixture of corner and edge-sharing YAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–As bond lengths are 2.92 Å. As3- is bonded to six equivalent Y3+ atoms to form a mixture of corner and edge-sharing AsY6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313138
title: Materials Data on CdPS3 by Materials Project

description: CdPS3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three CdPS3 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent S2- atoms to form edge-sharing CdS6 octahedra. There are three shorter (2.76 Å) and three longer (2.77 Å) Cd–S bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.04 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd2+ and one P4+ atom.