cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1263041
title: Materials Data on CuNi2(PO4)2 by Materials Project

description: CuNi2(PO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ni2+ is bonded to five O2- atoms to form NiO5 trigonal bipyramids that share corners with five equivalent PO4 tetrahedra and an edgeedge with one NiO5 trigonal bipyramid. There are a spread of Ni–O bond distances ranging from 2.03–2.08 Å. Cu2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (1.96 Å) and two longer (2.04 Å) Cu–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five equivalent NiO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Ni2+, one Cu2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ni2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ni2+, one Cu2+, and one P5+ atom.
DOI: 10.17188/1263042
title: Materials Data on LaMg2Cu9 by Materials Project

description: LaCu9Mg2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Mg–Cu bond distances ranging from 2.87–2.97 Å. La is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are six shorter (2.93 Å) and twelve longer (3.28 Å) La–Cu bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to six equivalent Mg and six equivalent Cu atoms to form CuMg6Cu6 cuboctahedra that share corners with twelve equivalent CuLa2Mg3Cu7 cuboctahedra, edges with six equivalent CuMg6Cu6 cuboctahedra, and faces with eighteen equivalent CuLa2Mg3Cu7 cuboctahedra. All Cu–Cu bond lengths are 2.47 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent La and nine Cu atoms. There are six shorter (2.55 Å) and three longer (2.93 Å) Cu–Cu bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent La and nine Cu atoms. All Cu–Cu bond lengths are 2.53 Å. In the fourth Cu site, Cu is bonded to three equivalent Mg, two equivalent La, and seven Cu atoms to form CuLa2Mg3Cu7 cuboctahedra that share corners with seventeen CuLa2Mg3Cu7 cuboctahedra, edges with eight equivalent CuLa2Mg3Cu7 cuboctahedra, and faces with fourteen CuMg6Cu6 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.56 Å) Cu–Cu bond lengths.
DOI: 10.17188/1263043
title: Materials Data on TlPPbS4 by Materials Project

description: TlPbPS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.24–3.51 Å. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.87–3.43 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) P–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Tl1+, one Pb2+, and one P5+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one Tl1+, three equivalent Pb2+, and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Tl1+, two equivalent Pb2+, and one P5+ atom.
DOI: 10.17188/1263045
title: Materials Data on Cu2PHO5 by Materials Project

description: Cu2(OH)PO4 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with four equivalent PO4 tetrahedra, corners with four equivalent CuO5 trigonal bipyramids, and edges with two equivalent CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.99–2.44 Å. In the second Cu2+ site, Cu2+ is bonded to five O2- atoms to form CuO5 trigonal bipyramids that share corners with four equivalent CuO6 octahedra, corners with four equivalent PO4 tetrahedra, and an edgeedge with one CuO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 57–71°. There are a spread of Cu–O bond distances ranging from 1.94–2.13 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent CuO6 octahedra and corners with four equivalent CuO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 54–64°. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Cu2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cu2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Cu2+ and one P5+ atom.
DOI: 10.17188/1263047
title: Materials Data on VCu3O4 by Materials Project

description: Cu3VO4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. V5+ is bonded to four equivalent O2- atoms to form VO4 tetrahedra that share corners with twelve CuO4 tetrahedra. All V–O bond lengths are 1.80 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with eight CuO4 tetrahedra. All Cu–O bond lengths are 2.04 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with eight equivalent CuO4 tetrahedra. All Cu–O bond lengths are 2.06 Å. O2- is bonded to one V5+ and three Cu1+ atoms to form corner-sharing OVCu3 tetrahedra.
DOI: 10.17188/1263048
title: Materials Data on Gd(IO3)3 by Materials Project

description: Gd(IO3)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.35–2.76 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two I5+ atoms. There are one shorter (1.84 Å) and one longer (2.76 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and two I5+ atoms. There are one shorter (1.85 Å) and one longer (2.88 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Gd3+ and one I5+ atom. The O–I bond length is 1.84 Å. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one I5+ atom. The O–I bond length is 1.83 Å. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Gd3+ and one I5+ atom. The O–I bond length is 1.84 Å. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and one I5+ atom. The O–I bond length is 1.85 Å. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Gd3+ and one I5+ atom. The O–I bond length is 1.86 Å. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three I5+ atoms. There are a spread of O–I bond distances ranging from 1.87–2.74 Å. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Gd3+ and one I5+ atom. The O–I bond length is 1.84 Å. There are three inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms. In the second I5+ site, I5+ is bonded in a 3-coordinate geometry to three O2- atoms. In the third I5+ site, I5+ is bonded in a 3-coordinate geometry to four O2- atoms.
DOI: 10.17188/1263049
title: Materials Data on CsUAgSe3 by Materials Project

description: CsUAgSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.68–3.85 Å. U4+ is bonded to six Se2- atoms to form USe6 octahedra that share corners with two equivalent USe6 octahedra, edges with two equivalent USe6 octahedra, and edges with four equivalent AgSe4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are four shorter (2.88 Å) and two longer (2.89 Å) U–Se bond lengths. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with two equivalent AgSe4 tetrahedra and edges with four equivalent USe6 octahedra. There are two shorter (2.61 Å) and two longer (2.68 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent U4+, and two equivalent Ag1+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent U4+, and one Ag1+ atom.
DOI: 10.17188/1263053
title: Materials Data on Eu3NbO7 by Materials Project

description: Eu3NbO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.74 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent NbO6 octahedra, a cornercorner with one EuO7 pentagonal bipyramid, edges with two equivalent NbO6 octahedra, and edges with three equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of Eu–O bond distances ranging from 2.26–2.60 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There are two shorter (1.99 Å) and four longer (2.03 Å) Nb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Nb5+ atom. In the third O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the fourth O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1263054
title: Materials Data on DyAgPb by Materials Project

description: DyAgPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Pb atoms. There are three shorter (3.10 Å) and three longer (3.68 Å) Dy–Ag bond lengths. There are three shorter (3.26 Å) and three longer (3.47 Å) Dy–Pb bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Pb atoms. There are three shorter (2.88 Å) and one longer (3.04 Å) Ag–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Ag atoms.
DOI: 10.17188/1263055
title: Materials Data on HoCoSi by Materials Project

description: HoCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. There are a spread of Ho–Si bond distances ranging from 2.92–3.13 Å. Co1+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.36–2.51 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Ho3+ and four equivalent Co1+ atoms.
DOI: 10.17188/1263056
title: Materials Data on Hf5Sn4 by Materials Project

description: Hf5Sn4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Hf–Sn bond lengths are 3.10 Å. In the second Hf site, Hf is bonded to seven Sn atoms to form a mixture of distorted face, edge, and corner-sharing HfSn7 pentagonal bipyramids. There are a spread of Hf–Sn bond distances ranging from 2.88–3.09 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Hf atoms to form distorted face-sharing SnHf6 octahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Hf atoms.
DOI: 10.17188/1263057
title: Materials Data on Cs4Sn2Au7 by Materials Project

description: Cs4Au7Sn2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Cs4Au7Sn2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to three equivalent Au atoms. All Cs–Au bond lengths are 3.72 Å. In the second Cs site, Cs is bonded in a 9-coordinate geometry to twelve Au atoms. There are a spread of Cs–Au bond distances ranging from 3.75–4.09 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 1-coordinate geometry to four Cs, one Au, and one Sn atom. The Au–Au bond length is 2.85 Å. The Au–Sn bond length is 2.69 Å. In the second Au site, Au is bonded to six equivalent Cs and six equivalent Au atoms to form edge-sharing AuCs6Au6 cuboctahedra. Sn is bonded in a 3-coordinate geometry to three equivalent Au atoms.
DOI: 10.17188/1263058
title: Materials Data on Zn5B3Rh7 by Materials Project

description: Rh7Zn5B3 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Zn and four equivalent B atoms. All Rh–Zn bond lengths are 2.71 Å. All Rh–B bond lengths are 2.23 Å. In the second Rh site, Rh is bonded in a 2-coordinate geometry to eight Zn and two equivalent B atoms. There are four shorter (2.72 Å) and four longer (2.78 Å) Rh–Zn bond lengths. Both Rh–B bond lengths are 2.21 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Zn and four equivalent B atoms. All Rh–Zn bond lengths are 2.88 Å. All Rh–B bond lengths are 2.20 Å. In the fourth Rh site, Rh is bonded in a distorted body-centered cubic geometry to six Zn and two equivalent B atoms. There are a spread of Rh–Zn bond distances ranging from 2.63–2.69 Å. Both Rh–B bond lengths are 2.19 Å. In the fifth Rh site, Rh is bonded in a 8-coordinate geometry to six Zn and two equivalent B atoms. There are a spread of Rh–Zn bond distances ranging from 2.62–2.84 Å. Both Rh–B bond lengths are 2.12 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 8-coordinate geometry to eight Rh atoms. In the second Zn site, Zn is bonded in a 12-coordinate geometry to eight Rh and one B atom. The Zn–B bond length is 2.50 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to eight Rh atoms. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six Rh and two equivalent Zn atoms. In the second B site, B is bonded in a 6-coordinate geometry to six Rh atoms.
DOI: 10.17188/1263059
title: Materials Data on Er4Si9Ir13 by Materials Project

description: Er4Ir13Si9 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to ten Ir and six Si atoms. There are a spread of Er–Ir bond distances ranging from 3.08–3.44 Å. There are a spread of Er–Si bond distances ranging from 3.06–3.13 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to twelve Ir and six Si atoms. There are a spread of Er–Ir bond distances ranging from 3.07–3.45 Å. There are two shorter (3.04 Å) and four longer (3.08 Å) Er–Si bond lengths. In the third Er site, Er is bonded in a 12-coordinate geometry to ten Ir and six Si atoms. There are a spread of Er–Ir bond distances ranging from 3.02–3.43 Å. There are four shorter (3.07 Å) and two longer (3.08 Å) Er–Si bond lengths. There are eight inequivalent Ir sites. In the first Ir site, Ir is bonded to four Er and four Si atoms to form a mixture of distorted edge and corner-sharing IrEr4Si4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.44 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded in a 5-coordinate geometry to two equivalent Er and five Si atoms. There are one shorter (2.38 Å) and four longer (2.55 Å) Ir–Si bond lengths. In the third Ir site, Ir is bonded in a 2-coordinate geometry to three equivalent Er and four Si atoms. There are a spread of Ir–Si bond distances ranging from 2.36–2.59 Å. In the fourth Ir site, Ir is bonded to four Er and four Si atoms to form a mixture of distorted edge, face, and corner-sharing IrEr4Si4 tetrahedra. There are a spread of Ir–Si bond distances ranging from 2.41–2.44 Å. In the fifth Ir site, Ir is bonded in a 4-coordinate geometry to three Er and four Si atoms. There are a spread of Ir–Si bond distances ranging from 2.38–2.53 Å. In the sixth Ir site, Ir is bonded in a 5-coordinate geometry to two Er and five Si atoms. There are one shorter (2.38 Å) and four longer (2.55 Å) Ir–Si bond lengths. In the seventh Ir site, Ir is bonded in a 4-coordinate geometry to three Er and four Si atoms. There are a spread of Ir–Si bond distances ranging from 2.40–2.49 Å. In the eighth Ir site, Ir is bonded in a 3-coordinate geometry to six Er and three Si atoms. There are two shorter (2.38 Å) and one longer (2.39 Å) Ir–Si bond lengths. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to two equivalent Er, six Ir, and two equivalent Si atoms. Both Si–Si bond lengths are 2.79 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Er and seven Ir atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to four Er and five Ir atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to two equivalent Er and seven Ir atoms. In the fifth Si site, Si is bonded in a 2-coordinate geometry to two equivalent Er, six Ir, and two Si atoms. The Si–Si bond length is 2.79 Å. In the sixth Si site, Si is bonded in a 9-coordinate geometry to four equivalent Er and five Ir atoms.
DOI: 10.17188/1263060
title: Materials Data on LiFe(SiO3)2 by Materials Project

description: LiFeSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.07–2.55 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.94–2.18 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent FeO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 35–60°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Fe3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Fe3+, and one Si4+ atom.
DOI: 10.17188/1263061
title: Materials Data on SrAsH3O5 by Materials Project

description: SrAsH3O5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to one H1+ and eight O2- atoms. The Sr–H bond length is 2.76 Å. There are a spread of Sr–O bond distances ranging from 2.56–2.96 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.79 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.74 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.63 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Sr2+ and two O2- atoms. There is one shorter (1.00 Å) and one longer (1.76 Å) H–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+, one As5+, and one H1+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one As5+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Sr2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one As5+, and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one As5+ atom.
DOI: 10.17188/1263062
title: Materials Data on Cs2AgSbS4 by Materials Project

description: Cs2AgSbS4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Cs–S bond distances ranging from 3.51–3.83 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Cs–S bond distances ranging from 3.64–4.20 Å. Ag1+ is bonded to four S2- atoms to form distorted AgS4 tetrahedra that share corners with two equivalent SbS4 tetrahedra, an edgeedge with one AgS4 tetrahedra, and an edgeedge with one SbS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.52–2.99 Å. Sb5+ is bonded to four S2- atoms to form SbS4 tetrahedra that share corners with two equivalent AgS4 tetrahedra and an edgeedge with one AgS4 tetrahedra. There are a spread of Sb–S bond distances ranging from 2.35–2.39 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to four Cs1+, one Ag1+, and one Sb5+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to four Cs1+, one Ag1+, and one Sb5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to five Cs1+ and one Sb5+ atom. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to three Cs1+, two equivalent Ag1+, and one Sb5+ atom.