cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1207714
title: Materials Data on Sm(CuSi)2 by Materials Project

description: SmCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.09 Å. Cu+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CuSi4 tetrahedra. All Cu–Si bond lengths are 2.40 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm3+, four equivalent Cu+2.50+, and one Si4- atom. The Si–Si bond length is 2.38 Å.
DOI: 10.17188/1207715
title: Materials Data on LaTaO4 by Materials Project

description: LaTaO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.39–3.03 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 12–38°. There are a spread of Ta–O bond distances ranging from 1.93–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent La3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded to three equivalent La3+ and one Ta5+ atom to form distorted corner-sharing OLa3Ta tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent La3+ and one Ta5+ atom.
DOI: 10.17188/1207716
title: Materials Data on Y(SiPt)2 by Materials Project

description: Y(PtSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Si atoms. All Y–Pt bond lengths are 3.24 Å. All Y–Si bond lengths are 3.19 Å. Pt is bonded to four equivalent Y and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing PtY4Si4 tetrahedra. All Pt–Si bond lengths are 2.47 Å. Si is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Pt, and one Si atom. The Si–Si bond length is 2.33 Å.
DOI: 10.17188/1207717
title: Materials Data on SrNbFeO6 by Materials Project

description: SrNbFeO6 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with four equivalent NbO6 octahedra, and faces with four equivalent FeO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.73–2.89 Å. Nb is bonded to six O atoms to form NbO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. All Nb–O bond lengths are 2.00 Å. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. All Fe–O bond lengths are 1.98 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to two equivalent Sr, one Nb, and one Fe atom. In the second O site, O is bonded in a distorted linear geometry to two equivalent Sr, one Nb, and one Fe atom.
DOI: 10.17188/1207718
title: Materials Data on NdAl2 by Materials Project

description: Al2Nd is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Nd and twelve equivalent Al atoms. All Nd–Nd bond lengths are 3.48 Å. All Nd–Al bond lengths are 3.33 Å. Al is bonded to six equivalent Nd and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlNd6Al6 cuboctahedra. All Al–Al bond lengths are 2.84 Å.
DOI: 10.17188/1207719
title: Materials Data on BaTaS3 by Materials Project

description: BaTaS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded to twelve S2- atoms to form BaS12 cuboctahedra that share corners with six equivalent BaS12 cuboctahedra, corners with six equivalent TaS6 octahedra, faces with eight equivalent BaS12 cuboctahedra, and faces with six equivalent TaS6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Ba–S bond distances ranging from 3.47–3.49 Å. Ta4+ is bonded to six S2- atoms to form TaS6 octahedra that share corners with six equivalent BaS12 cuboctahedra, faces with six equivalent BaS12 cuboctahedra, and faces with two equivalent TaS6 octahedra. There are two shorter (2.49 Å) and four longer (2.50 Å) Ta–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two equivalent Ta4+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two equivalent Ta4+ atoms.
DOI: 10.17188/1207720
title: Materials Data on Li2ZrF6 by Materials Project

description: Li2ZrF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent ZrF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–F bond lengths are 2.06 Å. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with twelve equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Zr–F bond lengths are 2.05 Å. F1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one Zr4+ atom.
DOI: 10.17188/1207721
title: Materials Data on Ag5SbS4 by Materials Project

description: Ag5SbS4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.68 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–3.20 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are one shorter (2.48 Å) and two longer (2.56 Å) Ag–S bond lengths. Sb3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are two shorter (2.47 Å) and one longer (2.52 Å) Sb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Ag1+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Ag1+ and one Sb3+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Ag1+ atoms.
DOI: 10.17188/1207722
title: Materials Data on ErPO4 by Materials Project

description: ErPO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.31 Å) and four longer (2.37 Å) Er–O bond lengths. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Er3+ and one P5+ atom.
DOI: 10.17188/1207723
title: Materials Data on CaLaMnFeO6 by Materials Project

description: CaLaMnFeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.38–2.78 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–3.00 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 21–26°. There is one shorter (1.94 Å) and five longer (1.95 Å) Mn–O bond length. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 21–26°. There are four shorter (2.01 Å) and two longer (2.02 Å) Fe–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent La3+, one Mn4+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent La3+, one Mn4+, and one Fe3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent La3+, one Mn4+, and one Fe3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one La3+, one Mn4+, and one Fe3+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one La3+, one Mn4+, and one Fe3+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one La3+, one Mn4+, and one Fe3+ atom.
DOI: 10.17188/1207724
title: Materials Data on Nd(SiNi)2 by Materials Project

description: NdNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.12 Å. Ni+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.33 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nd3+, four equivalent Ni+2.50+, and one Si4- atom. The Si–Si bond length is 2.50 Å.
DOI: 10.17188/1207725
title: Materials Data on ZnGeAs2 by Materials Project

description: ZnGeAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent ZnAs4 tetrahedra and corners with eight equivalent GeAs4 tetrahedra. All Zn–As bond lengths are 2.48 Å. Ge4+ is bonded to four equivalent As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight equivalent ZnAs4 tetrahedra. All Ge–As bond lengths are 2.48 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Ge4+ atoms to form corner-sharing AsZn2Ge2 tetrahedra.
DOI: 10.17188/1207726
title: Materials Data on BaPdS2 by Materials Project

description: BaPdS2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of Ba–S bond distances ranging from 3.19–3.45 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.39 Å. S2- is bonded to four equivalent Ba2+ and two equivalent Pd2+ atoms to form a mixture of distorted face, edge, and corner-sharing SBa4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–68°.
DOI: 10.17188/1207727
title: Materials Data on Sc2S3 by Materials Project

description: Sc2S3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Sc–S bond distances ranging from 2.56–2.62 Å. In the second Sc3+ site, Sc3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedra tilt angles range from 3–5°. There are a spread of Sc–S bond distances ranging from 2.57–2.61 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms.
DOI: 10.17188/1207728
title: Materials Data on Nd(SiRu)2 by Materials Project

description: NdRu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.27 Å. Ru+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.39 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four equivalent Ru+2.50+ atoms.
DOI: 10.17188/1207729
title: Materials Data on ZnSiH12(OF)6 by Materials Project

description: Zn(H2O)6SiF6 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three SiF6 clusters and three zinc hexahydrate molecules. In each SiF6 cluster, Si4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Si–F bond lengths are 1.72 Å. F1- is bonded in a single-bond geometry to one Si4+ atom.
DOI: 10.17188/1207730
title: Materials Data on Pr(CuSi)2 by Materials Project

description: PrCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Pr–Si bond lengths are 3.15 Å. Cu2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CuSi4 tetrahedra. All Cu–Si bond lengths are 2.42 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr4+, four equivalent Cu2+, and one Si4- atom. The Si–Si bond length is 2.43 Å.
DOI: 10.17188/1207731
title: Materials Data on Cs2KZrOF5 by Materials Project

description: Cs2KZrOF5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Cs1+ is bonded to two equivalent O2- and ten F1- atoms to form CsO2F10 cuboctahedra that share corners with twelve equivalent CsO2F10 cuboctahedra, faces with six equivalent CsO2F10 cuboctahedra, faces with four equivalent KOF5 octahedra, and faces with four equivalent ZrOF5 octahedra. Both Cs–O bond lengths are 3.36 Å. There are a spread of Cs–F bond distances ranging from 3.33–3.40 Å. K1+ is bonded to one O2- and five F1- atoms to form KOF5 octahedra that share corners with six equivalent ZrOF5 octahedra and faces with eight equivalent CsO2F10 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. The K–O bond length is 2.67 Å. There are four shorter (2.63 Å) and one longer (2.70 Å) K–F bond lengths. Zr4+ is bonded to one O2- and five F1- atoms to form ZrOF5 octahedra that share corners with six equivalent KOF5 octahedra and faces with eight equivalent CsO2F10 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Zr–O bond length is 1.89 Å. There are four shorter (2.10 Å) and one longer (2.27 Å) Zr–F bond lengths. O2- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one K1+, and one Zr4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Zr4+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Zr4+ atom.
DOI: 10.17188/1207732
title: Materials Data on SiNiH12(OF)6 by Materials Project

description: Ni(H2O)6SiF6 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three nsvfpfuroxfzjs-uhfffaoysa-n molecules and three SiF6 clusters. In each SiF6 cluster, Si4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Si–F bond lengths are 1.72 Å. F1- is bonded in a single-bond geometry to one Si4+ atom.
DOI: 10.17188/1207733
title: Materials Data on TlGaS2 by Materials Project

description: TlGaS2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.31–3.79 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.32–3.77 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are one shorter (2.30 Å) and three longer (2.31 Å) Ga–S bond lengths. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are one shorter (2.30 Å) and three longer (2.31 Å) Ga–S bond lengths. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to four Tl1+ and two Ga3+ atoms. In the second S2- site, S2- is bonded in a distorted water-like geometry to four Tl1+ and two Ga3+ atoms. In the third S2- site, S2- is bonded in a distorted water-like geometry to four Tl1+ and two Ga3+ atoms. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to four Tl1+ and two equivalent Ga3+ atoms. In the fifth S2- site, S2- is bonded in a distorted water-like geometry to four Tl1+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1207763
title: Materials Data on NaHf2(PO4)3 by Materials Project

description: NaHf2(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.57 Å. Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.04 Å) and three longer (2.09 Å) Hf–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 23–36°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Hf4+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Hf4+ and one P5+ atom.
DOI: 10.17188/1207764
title: Materials Data on LiCaPrTeO6 by Materials Project

description: LiCaPrTeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 29–37°. There are a spread of Li–O bond distances ranging from 2.06–2.43 Å. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.75 Å. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.78 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 29–37°. There is five shorter (1.95 Å) and one longer (1.97 Å) Te–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, one Ca2+, one Pr3+, and one Te6+ atom to form distorted corner-sharing OLiCaPrTe tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, two equivalent Ca2+, one Pr3+, and one Te6+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, two equivalent Ca2+, one Pr3+, and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, one Ca2+, two equivalent Pr3+, and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, one Ca2+, two equivalent Pr3+, and one Te6+ atom. In the sixth O2- site, O2- is bonded to one Li1+, one Ca2+, one Pr3+, and one Te6+ atom to form distorted corner-sharing OLiCaPrTe tetrahedra.
DOI: 10.17188/1207765
title: Materials Data on BaLiLaTeO6 by Materials Project

description: BaLaLiTeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent TeO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.10 Å. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent TeO6 octahedra. All Ba–O bond lengths are 2.86 Å. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent TeO6 octahedra. All La–O bond lengths are 2.86 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to one Li1+, two equivalent Ba2+, two equivalent La3+, and one Te6+ atom.
DOI: 10.17188/1207767
title: Materials Data on CdP2 by Materials Project

description: CdP2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Cd2+ is bonded to four P1- atoms to form CdP4 tetrahedra that share corners with four equivalent CdP4 tetrahedra and corners with eight PCd2P2 tetrahedra. There are a spread of Cd–P bond distances ranging from 2.58–2.64 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to two equivalent Cd2+ and two equivalent P1- atoms to form PCd2P2 tetrahedra that share corners with four equivalent CdP4 tetrahedra and corners with eight PCd2P2 tetrahedra. There are one shorter (2.18 Å) and one longer (2.23 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two equivalent Cd2+ and two equivalent P1- atoms to form PCd2P2 tetrahedra that share corners with four equivalent CdP4 tetrahedra and corners with eight PCd2P2 tetrahedra.