cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1271217
title: Materials Data on Pr3CuSnS7 by Materials Project

description: Pr3CuSnS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pr–S bond distances ranging from 2.83–3.44 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.26 Å. Sn4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.38 Å) and three longer (2.42 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent Pr3+ and one Cu1+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Pr3+ and one Sn4+ atom. In the third S2- site, S2- is bonded in a tetrahedral geometry to three equivalent Pr3+ and one Sn4+ atom.
DOI: 10.17188/1271219
title: Materials Data on K2Ge3(BO5)2 by Materials Project

description: K2Ge3(BO5)2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.38 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.41 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four GeO4 tetrahedra. There is three shorter (1.49 Å) and one longer (1.50 Å) B–O bond length. In the second B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four GeO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.48–1.50 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent BO4 tetrahedra and corners with two equivalent GeO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.79 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three BO4 tetrahedra. There is three shorter (1.77 Å) and one longer (1.80 Å) Ge–O bond length. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three BO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.77–1.79 Å. In the fourth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent BO4 tetrahedra and corners with two equivalent GeO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.79 Å) Ge–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three equivalent K1+, one B3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two K1+ and two Ge4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+, one B3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two K1+, one B3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent K1+, one B3+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two K1+, one B3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two K1+ and two Ge4+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one B3+, and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one B3+, and one Ge4+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two K1+, one B3+, and one Ge4+ atom.
DOI: 10.17188/1271221
title: Materials Data on AuS3(O3F)3 by Materials Project

description: Au(SO3F)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Au(SO3F)3 clusters. Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 2.02–2.09 Å. There are three inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.43 Å) and one longer (1.56 Å) S–O bond length. The S–F bond length is 1.59 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.42 Å) and two longer (1.50 Å) S–O bond length. The S–F bond length is 1.56 Å. In the third S6+ site, S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.43 Å) and one longer (1.54 Å) S–O bond length. The S–F bond length is 1.59 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Au3+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one S6+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one S6+ atom.
DOI: 10.17188/1271223
title: Materials Data on NiSnF6 by Materials Project

description: NiSnF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent SnF6 octahedra. The corner-sharing octahedral tilt angles are 38°. All Ni–F bond lengths are 2.03 Å. Sn4+ is bonded to six equivalent F1- atoms to form SnF6 octahedra that share corners with six equivalent NiF6 octahedra. The corner-sharing octahedral tilt angles are 38°. All Sn–F bond lengths are 2.00 Å. F1- is bonded in a bent 150 degrees geometry to one Ni2+ and one Sn4+ atom.
DOI: 10.17188/1271224
title: Materials Data on Ag2S by Materials Project

description: Ag2S crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. There are one shorter (2.43 Å) and one longer (2.44 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.58–2.70 Å. S2- is bonded in a 5-coordinate geometry to five Ag1+ atoms.
DOI: 10.17188/1271226
title: Materials Data on UTe6(OF5)6 by Materials Project

description: UTe6(OF5)6 is Protactinium structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two UTe6(OF5)6 clusters. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six TeOF5 octahedra. The corner-sharing octahedra tilt angles range from 9–10°. All U–O bond lengths are 2.07 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to one O2- and five F1- atoms to form TeOF5 octahedra that share a cornercorner with one UO6 octahedra. The corner-sharing octahedral tilt angles are 9°. The Te–O bond length is 1.91 Å. There is one shorter (1.86 Å) and four longer (1.87 Å) Te–F bond length. In the second Te6+ site, Te6+ is bonded to one O2- and five F1- atoms to form TeOF5 octahedra that share a cornercorner with one UO6 octahedra. The corner-sharing octahedral tilt angles are 10°. The Te–O bond length is 1.91 Å. There is one shorter (1.86 Å) and four longer (1.87 Å) Te–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one U6+ and one Te6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one U6+ and one Te6+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom.
DOI: 10.17188/1271227
title: Materials Data on Y3BrO4 by Materials Project

description: Y3O4Br crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- and two equivalent Br1- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.32 Å. Both Y–Br bond lengths are 3.24 Å. In the second Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 2.18–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Y3+ atoms. Br1- is bonded in a 4-coordinate geometry to four equivalent Y3+ atoms.
DOI: 10.17188/1271228
title: Materials Data on CaF2 by Materials Project

description: CaF2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ca–F bond distances ranging from 2.22–2.44 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ca2+ atoms. In the second F1- site, F1- is bonded in a distorted T-shaped geometry to three equivalent Ca2+ atoms.
DOI: 10.17188/1271229
title: Materials Data on NaNb2AsO8 by Materials Project

description: NaNb2AsO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to seven O2- atoms to form distorted NaO7 pentagonal bipyramids that share corners with two equivalent AsO4 tetrahedra, edges with two equivalent NbO6 octahedra, an edgeedge with one NaO7 pentagonal bipyramid, and an edgeedge with one AsO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.45–2.79 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Nb–O bond distances ranging from 1.77–2.06 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent AsO4 tetrahedra and edges with two equivalent NaO7 pentagonal bipyramids. There are a spread of Nb–O bond distances ranging from 1.87–2.15 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with three equivalent NbO6 octahedra, corners with two equivalent NaO7 pentagonal bipyramids, and an edgeedge with one NaO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Nb5+, and one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Nb5+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two Nb5+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one As5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Nb5+, and one As5+ atom.
DOI: 10.17188/1271230
title: Materials Data on Li2Ca3Be3Si3(O6F)2 by Materials Project

description: Li2Ca3Be3Si3(O6F)2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to three equivalent O2- and one F1- atom to form LiO3F tetrahedra that share corners with three equivalent BeO4 tetrahedra and corners with three equivalent SiO4 tetrahedra. All Li–O bond lengths are 2.01 Å. The Li–F bond length is 1.93 Å. In the second Li1+ site, Li1+ is bonded to three equivalent O2- and one F1- atom to form LiO3F tetrahedra that share corners with three equivalent BeO4 tetrahedra and corners with three equivalent SiO4 tetrahedra. All Li–O bond lengths are 2.03 Å. The Li–F bond length is 1.89 Å. There are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Ca–O bond distances ranging from 2.48–2.58 Å. Both Ca–F bond lengths are 2.45 Å. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Ca–O bond distances ranging from 2.43–2.66 Å. Both Ca–F bond lengths are 2.42 Å. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with two LiO3F tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.62–1.67 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two LiO3F tetrahedra and corners with four equivalent BeO4 tetrahedra. There is three shorter (1.64 Å) and one longer (1.65 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, one Ca2+, one Be2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ca2+, one Be2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ca2+, one Be2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, one Ca2+, one Be2+, and one Si4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to one Li1+ and three equivalent Ca2+ atoms to form distorted corner-sharing FLiCa3 tetrahedra. In the second F1- site, F1- is bonded to one Li1+ and three equivalent Ca2+ atoms to form distorted corner-sharing FLiCa3 tetrahedra.
DOI: 10.17188/1271231
title: Materials Data on Rb2NaBiF6 by Materials Project

description: Rb2NaBiF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent BiF6 octahedra. All Rb–F bond lengths are 3.25 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent BiF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.32 Å. Bi3+ is bonded to six equivalent F1- atoms to form BiF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–F bond lengths are 2.27 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Bi3+ atom.
DOI: 10.17188/1271232
title: Materials Data on NaY(SiO3)2 by Materials Project

description: NaYSi2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–3.03 Å. Y3+ is bonded to seven O2- atoms to form YO7 pentagonal bipyramids that share corners with four SiO4 tetrahedra, edges with two equivalent YO7 pentagonal bipyramids, and edges with two SiO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.23–2.54 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent YO7 pentagonal bipyramids, corners with two equivalent SiO4 tetrahedra, and an edgeedge with one YO7 pentagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent YO7 pentagonal bipyramids, corners with two equivalent SiO4 tetrahedra, and an edgeedge with one YO7 pentagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.60–1.67 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two Si4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+ and two Si4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Y3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+, one Y3+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Y3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, two equivalent Y3+, and one Si4+ atom.
DOI: 10.17188/1271234
title: Materials Data on AsS3(NF3)2 by Materials Project

description: N2S3AsF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AsF6 clusters and four N2S3 clusters. In each AsF6 cluster, As2+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.83 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one As2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In each N2S3 cluster, there are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.60 Å) N–S bond length. In the second N5+ site, N5+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.60 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one N5+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two N5+ atoms. In the third S2- site, S2- is bonded in a distorted single-bond geometry to one N5+ atom.
DOI: 10.17188/1271235
title: Materials Data on KSb4F13 by Materials Project

description: KSb4F13 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two KSb4F13 ribbons oriented in the (0, 0, 1) direction. K1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are eight shorter (2.81 Å) and two longer (2.98 Å) K–F bond lengths. Sb3+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.96–2.75 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+, one Sb3+, and one F1- atom. The F–F bond length is 2.75 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded to two equivalent K1+, four equivalent Sb3+, and eight equivalent F1- atoms to form distorted corner-sharing FK2Sb4F8 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1271236
title: Materials Data on H5CSN2Cl by Materials Project

description: (CN2H5S)2Cl2 crystallizes in the tetragonal P4_12_12 space group. The structure is zero-dimensional and consists of eight hydrochloric acid molecules and eight thiouronium molecules.
DOI: 10.17188/1271237
title: Materials Data on Ta2Pt3S8 by Materials Project

description: Ta2Pt3S8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ta5+ is bonded to six S2- atoms to form distorted TaS6 pentagonal pyramids that share corners with two equivalent PtS5 square pyramids, edges with two equivalent TaS6 pentagonal pyramids, and edges with two equivalent PtS5 square pyramids. There are a spread of Ta–S bond distances ranging from 2.46–2.53 Å. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded to five S2- atoms to form PtS5 square pyramids that share corners with two equivalent TaS6 pentagonal pyramids, edges with two equivalent TaS6 pentagonal pyramids, and edges with two equivalent PtS5 square pyramids. There are a spread of Pt–S bond distances ranging from 2.37–2.54 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.35 Å) and two longer (2.36 Å) Pt–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to one Ta5+ and two equivalent Pt2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Pt2+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ta5+ and two Pt2+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to one Ta5+ and two equivalent Pt2+ atoms.