cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1310293
title: Materials Data on Gd2ReC2 by Materials Project

description: Gd2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Gd–C bond distances ranging from 2.55–2.73 Å. In the second Gd site, Gd is bonded to five C atoms to form a mixture of corner and edge-sharing GdC5 square pyramids. There are a spread of Gd–C bond distances ranging from 2.53–2.61 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.93–2.04 Å. There are two inequivalent C sites. In the first C site, C is bonded to four Gd and two equivalent Re atoms to form a mixture of corner and edge-sharing CGd4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–40°. In the second C site, C is bonded to five Gd and one Re atom to form a mixture of corner and edge-sharing CGd5Re octahedra. The corner-sharing octahedra tilt angles range from 3–40°.
DOI: 10.17188/1310294
title: Materials Data on MnAlRu2 by Materials Project

description: Ru2MnAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Mn–Ru bond lengths are 2.59 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Ru–Al bond lengths are 2.59 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1310295
title: Materials Data on Dy2AgIr by Materials Project

description: Dy2IrAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ag atoms. All Dy–Ir bond lengths are 3.05 Å. All Dy–Ag bond lengths are 3.05 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1310296
title: Materials Data on DyBr3 by Materials Project

description: DyBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two DyBr3 ribbons oriented in the (0, 0, 1) direction. Dy3+ is bonded to six equivalent Br1- atoms to form distorted face-sharing DyBr6 pentagonal pyramids. All Dy–Br bond lengths are 2.83 Å. Br1- is bonded in an L-shaped geometry to two equivalent Dy3+ atoms.
DOI: 10.17188/1310297
title: Materials Data on MnVRu2 by Materials Project

description: VMnRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All V–Ru bond lengths are 2.61 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Mn–Ru bond lengths are 2.61 Å. Ru is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Mn atoms.
DOI: 10.17188/1310298
title: Materials Data on MnV3 by Materials Project

description: V3Mn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Mn atoms. All V–V bond lengths are 2.54 Å. All V–Mn bond lengths are 2.54 Å. In the second V site, V is bonded in a 8-coordinate geometry to eight equivalent V and six equivalent Mn atoms. All V–Mn bond lengths are 2.93 Å. Mn is bonded in a distorted body-centered cubic geometry to fourteen V atoms.
DOI: 10.17188/1310299
title: Materials Data on MnZnIr2 by Materials Project

description: MnIr2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Mn–Ir bond lengths are 2.62 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Zn atoms. All Ir–Zn bond lengths are 2.62 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1310300
title: Materials Data on DyBr2 by Materials Project

description: DyBr2 is trigonal omega-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Dy is bonded to six equivalent Br atoms to form a mixture of edge and corner-sharing DyBr6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are four shorter (2.89 Å) and two longer (2.90 Å) Dy–Br bond lengths. Br is bonded in a 3-coordinate geometry to three equivalent Dy atoms.
DOI: 10.17188/1310301
title: Materials Data on MnZnRh2 by Materials Project

description: MnRh2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mn–Rh bond lengths are 2.62 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Zn atoms. All Rh–Zn bond lengths are 2.62 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1310302
title: Materials Data on Mn2AlCr by Materials Project

description: Mn2CrAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Cr–Mn bond lengths are 2.48 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Cr and four equivalent Al atoms. All Mn–Al bond lengths are 2.48 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Mn atoms.
DOI: 10.17188/1310303
title: Materials Data on Mn2AlRe by Materials Project

description: ReMn2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re is bonded in a distorted body-centered cubic geometry to eight equivalent Mn and six equivalent Al atoms. All Re–Mn bond lengths are 2.53 Å. All Re–Al bond lengths are 2.92 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Al atoms. All Mn–Al bond lengths are 2.53 Å. Al is bonded in a distorted body-centered cubic geometry to six equivalent Re and eight equivalent Mn atoms.
DOI: 10.17188/1310304
title: Materials Data on Mn2AlW by Materials Project

description: WMn2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. W is bonded in a distorted body-centered cubic geometry to eight equivalent Mn and six equivalent Al atoms. All W–Mn bond lengths are 2.55 Å. All W–Al bond lengths are 2.95 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent W and four equivalent Al atoms. All Mn–Al bond lengths are 2.55 Å. Al is bonded in a 8-coordinate geometry to six equivalent W and eight equivalent Mn atoms.
DOI: 10.17188/1310305
title: Materials Data on Ca2AgPb by Materials Project

description: Ca2AgPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Pb atoms. All Ca–Ag bond lengths are 3.31 Å. All Ca–Pb bond lengths are 3.31 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1310306
title: Materials Data on MnNbRu2 by Materials Project

description: NbMnRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.69 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Mn–Ru bond lengths are 2.69 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Mn atoms.
DOI: 10.17188/1310307
title: Materials Data on DyB4Mo by Materials Project

description: DyMoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Dy3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Dy–B bond distances ranging from 2.67–2.83 Å. Mo3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mo–B bond distances ranging from 2.37–2.40 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Dy3+, two equivalent Mo3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.79–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Dy3+, two equivalent Mo3+, and three B+1.50- atoms. The B–B bond length is 1.86 Å. In the third B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Dy3+, two equivalent Mo3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.78 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Dy3+, four equivalent Mo3+, and three B+1.50- atoms. The B–B bond length is 1.77 Å.
DOI: 10.17188/1310308
title: Materials Data on DyHg3 by Materials Project

description: DyHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Hg atoms to form a mixture of face and corner-sharing DyHg12 cuboctahedra. There are six shorter (3.16 Å) and six longer (3.34 Å) Dy–Hg bond lengths. Hg is bonded in a 4-coordinate geometry to four equivalent Dy atoms.
DOI: 10.17188/1310315
title: Materials Data on DyAl3 by Materials Project

description: Al3Dy crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Al atoms to form a mixture of distorted face and corner-sharing DyAl12 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.14 Å) Dy–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent Dy and six equivalent Al atoms. There are two shorter (2.76 Å) and four longer (2.81 Å) Al–Al bond lengths.
DOI: 10.17188/1310316
title: Materials Data on AcMg5 by Materials Project

description: Mg5Ac crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Ac atoms to form a mixture of distorted edge, face, and corner-sharing MgAc4Mg8 cuboctahedra. There are four shorter (3.07 Å) and four longer (3.08 Å) Mg–Mg bond lengths. There are two shorter (3.91 Å) and two longer (4.03 Å) Mg–Ac bond lengths. In the second Mg site, Mg is bonded in a 9-coordinate geometry to six Mg and three equivalent Ac atoms. All Mg–Mg bond lengths are 3.07 Å. All Mg–Ac bond lengths are 3.56 Å. In the third Mg site, Mg is bonded to eight Mg and four equivalent Ac atoms to form a mixture of distorted edge, face, and corner-sharing MgAc4Mg8 cuboctahedra. Both Mg–Mg bond lengths are 3.08 Å. There are two shorter (3.91 Å) and two longer (4.03 Å) Mg–Ac bond lengths. In the fourth Mg site, Mg is bonded to eight Mg and four equivalent Ac atoms to form a mixture of distorted edge, face, and corner-sharing MgAc4Mg8 cuboctahedra. There are two shorter (3.91 Å) and two longer (4.03 Å) Mg–Ac bond lengths. Ac is bonded in a 6-coordinate geometry to eighteen Mg atoms.
DOI: 10.17188/1310317
title: Materials Data on LiSiPd2 by Materials Project

description: LiPd2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Si atoms. All Li–Pd bond lengths are 2.58 Å. All Li–Si bond lengths are 2.98 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Si atoms. All Pd–Si bond lengths are 2.58 Å. Si is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Pd atoms.
DOI: 10.17188/1310318
title: Materials Data on CaPuRh2 by Materials Project

description: CaPuRh2 is Heusler structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. There are six shorter (2.93 Å) and two longer (2.95 Å) Ca–Rh bond lengths. Pu is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. There are six shorter (2.93 Å) and two longer (2.94 Å) Pu–Rh bond lengths. Rh is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Pu atoms.
DOI: 10.17188/1310319
title: Materials Data on Dy2IrRh by Materials Project

description: Dy2IrRh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Rh atoms. All Dy–Ir bond lengths are 2.97 Å. All Dy–Rh bond lengths are 2.97 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1310320
title: Materials Data on CaB6 by Materials Project

description: CaB6 is Calcium hexaboride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to twenty-four equivalent B atoms. All Ca–B bond lengths are 3.05 Å. B is bonded in a 1-coordinate geometry to four equivalent Ca and five equivalent B atoms. There is one shorter (1.68 Å) and four longer (1.75 Å) B–B bond length.
DOI: 10.17188/1310321
title: Materials Data on HfScIr2 by Materials Project

description: ScHfIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sc–Ir bond lengths are 2.82 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Hf–Ir bond lengths are 2.82 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Hf atoms.
DOI: 10.17188/1310322
title: Materials Data on HfScOs2 by Materials Project

description: ScHfOs2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Sc–Os bond lengths are 2.80 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Hf–Os bond lengths are 2.80 Å. Os is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Hf atoms.
DOI: 10.17188/1310323
title: Materials Data on CaYRh2 by Materials Project

description: CaYRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ca–Rh bond lengths are 2.97 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Y–Rh bond lengths are 2.97 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Y atoms.
DOI: 10.17188/1310324
title: Materials Data on Be2IrPd by Materials Project

description: Be2IrPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Pd atoms. All Be–Ir bond lengths are 2.44 Å. All Be–Pd bond lengths are 2.44 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Be atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Be atoms.
DOI: 10.17188/1310325
title: Materials Data on Dy2ZnOs by Materials Project

description: Dy2OsZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Zn atoms. All Dy–Os bond lengths are 3.01 Å. All Dy–Zn bond lengths are 3.01 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1310326
title: Materials Data on DyI3 by Materials Project

description: DyI3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two DyI3 ribbons oriented in the (0, 0, 1) direction. Dy3+ is bonded to six equivalent I1- atoms to form distorted face-sharing DyI6 pentagonal pyramids. All Dy–I bond lengths are 3.05 Å. I1- is bonded in an L-shaped geometry to two equivalent Dy3+ atoms.
DOI: 10.17188/1310327
title: Materials Data on Dy2MgAl by Materials Project

description: MgDy2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. All Mg–Dy bond lengths are 3.18 Å. Dy is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Dy–Al bond lengths are 3.18 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1310328
title: Materials Data on Dy2MgIn by Materials Project

description: MgDy2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. All Mg–Dy bond lengths are 3.25 Å. Dy is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent In atoms. All Dy–In bond lengths are 3.25 Å. In is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1310329
title: Materials Data on CeFeO3 (SG:221) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1310330
title: Materials Data on InC6(NCl3)2 by Materials Project

description: InC6(NCl3)2 is Protactinium structured and crystallizes in the tetragonal I4_1/acd space group. The structure is zero-dimensional and consists of sixteen InC6(NCl3)2 clusters. In3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.43–3.10 Å. There are three inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.20 Å. In the second C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one C+1.50+ and one Cl1- atom. The C–C bond length is 1.22 Å. The C–Cl bond length is 1.62 Å. In the third C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one C+1.50+ and one N3- atom. The C–N bond length is 1.30 Å. N3- is bonded in a linear geometry to two C+1.50+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one In3+ and one C+1.50+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom.
DOI: 10.17188/1310331
title: Materials Data on HfGaRu2 by Materials Project

description: HfRu2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Hf–Ru bond lengths are 2.72 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Ga atoms. All Ru–Ga bond lengths are 2.72 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1310332
title: Materials Data on Mn2NbAl by Materials Project

description: Mn2NbAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Nb–Mn bond lengths are 2.61 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Al atoms. All Mn–Al bond lengths are 2.61 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.
DOI: 10.17188/1310333
title: Materials Data on EuAgAu2 by Materials Project

description: EuAu2Ag is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Eu–Au bond lengths are 3.09 Å. Au is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent Ag atoms. All Au–Ag bond lengths are 3.09 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1310334
title: Materials Data on Mg2Cu by Materials Project

description: Mg2Cu is Khatyrkite structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four equivalent Cu atoms. All Mg–Cu bond lengths are 2.75 Å. Cu is bonded in a 10-coordinate geometry to eight equivalent Mg and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.62 Å.
DOI: 10.17188/1310335
title: Materials Data on MnSiRh2 by Materials Project

description: MnRh2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mn–Rh bond lengths are 2.60 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Si atoms. All Rh–Si bond lengths are 2.60 Å. Si is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1310336
title: Materials Data on Dy2ZnRu by Materials Project

description: Dy2RuZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Zn atoms. All Dy–Ru bond lengths are 3.01 Å. All Dy–Zn bond lengths are 3.01 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1310337
title: Materials Data on CuBiPtS3 by Materials Project

description: PtCuBiS3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Pt2+ is bonded in a square co-planar geometry to four S2- atoms. There are a spread of Pt–S bond distances ranging from 2.35–2.38 Å. Cu1+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.27–2.32 Å. Bi3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Bi–S bond distances ranging from 2.71–2.88 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to one Pt2+, one Cu1+, and two equivalent Bi3+ atoms to form distorted SCuBi2Pt tetrahedra that share corners with seven SCu2BiPt tetrahedra, corners with three equivalent SCuBiPt2 trigonal pyramids, and an edgeedge with one SCuBiPt2 trigonal pyramid. In the second S2- site, S2- is bonded to two equivalent Pt2+, one Cu1+, and one Bi3+ atom to form distorted SCuBiPt2 trigonal pyramids that share corners with six SCuBi2Pt tetrahedra, corners with two equivalent SCuBiPt2 trigonal pyramids, and edges with two SCu2BiPt tetrahedra. In the third S2- site, S2- is bonded to one Pt2+, two equivalent Cu1+, and one Bi3+ atom to form distorted SCu2BiPt tetrahedra that share corners with seven SCuBi2Pt tetrahedra, corners with three equivalent SCuBiPt2 trigonal pyramids, and an edgeedge with one SCuBiPt2 trigonal pyramid.