cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1685760
title: Materials Data on NdEr3 by Materials Project

description: Er3Nd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to eight equivalent Er and four equivalent Nd atoms to form ErNd4Er8 cuboctahedra that share corners with twelve equivalent ErNd4Er8 cuboctahedra, edges with eight equivalent NdEr12 cuboctahedra, edges with sixteen equivalent ErNd4Er8 cuboctahedra, faces with four equivalent NdEr12 cuboctahedra, and faces with fourteen equivalent ErNd4Er8 cuboctahedra. All Er–Er bond lengths are 3.55 Å. All Er–Nd bond lengths are 3.55 Å. Nd is bonded to twelve equivalent Er atoms to form NdEr12 cuboctahedra that share corners with twelve equivalent NdEr12 cuboctahedra, edges with twenty-four equivalent ErNd4Er8 cuboctahedra, faces with six equivalent NdEr12 cuboctahedra, and faces with twelve equivalent ErNd4Er8 cuboctahedra.
DOI: 10.17188/1685761
title: Materials Data on Ta2CrB2 by Materials Project

description: Ta2CrB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ta is bonded in a 6-coordinate geometry to six equivalent B atoms. There are two shorter (2.38 Å) and four longer (2.41 Å) Ta–B bond lengths. Cr is bonded in a distorted square co-planar geometry to four equivalent B atoms. All Cr–B bond lengths are 2.39 Å. B is bonded in a 9-coordinate geometry to six equivalent Ta, two equivalent Cr, and one B atom. The B–B bond length is 1.89 Å.
DOI: 10.17188/1685762
title: Materials Data on Li3V3P8O29 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: 10.17188/1685763
title: Materials Data on V3Fe by Materials Project

description: FeV3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V and four equivalent Fe atoms. Both V–V bond lengths are 2.32 Å. All V–Fe bond lengths are 2.60 Å. Fe is bonded to twelve equivalent V atoms to form a mixture of face and edge-sharing FeV12 cuboctahedra.
DOI: 10.17188/1685764
title: Materials Data on CaNdCrO4 by Materials Project

description: NdCaCrO4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.29–2.77 Å. Nd3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.29–2.76 Å. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are four shorter (1.98 Å) and two longer (2.06 Å) Cr–O bond lengths. In the second Cr3+ site, Cr3+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are four shorter (1.97 Å) and two longer (2.06 Å) Cr–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Nd3+, and one Cr3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, three equivalent Nd3+, and one Cr3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ca2+, two equivalent Nd3+, and two Cr3+ atoms.
DOI: 10.17188/1685766
title: Materials Data on CsLi2(HO)3 by Materials Project

description: CsLi2(HO)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to six H1+ and one O2- atom. There are a spread of Cs–H bond distances ranging from 2.98–3.18 Å. The Cs–O bond length is 3.08 Å. Li1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Cs1+ and one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to three equivalent Cs1+ and one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Li1+ and one H1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, two equivalent Li1+, and one H1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one H1+ atom.
DOI: 10.17188/1685767
title: Materials Data on CuNiPd by Materials Project

description: PdCuNi crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Pd is bonded to six equivalent Pd, three equivalent Ni, and three equivalent Cu atoms to form PdCu3Ni3Pd6 cuboctahedra that share corners with three equivalent NiCu3Ni6Pd3 cuboctahedra, corners with three equivalent CuCu6Ni3Pd3 cuboctahedra, corners with six equivalent PdCu3Ni3Pd6 cuboctahedra, edges with six equivalent PdCu3Ni3Pd6 cuboctahedra, edges with nine equivalent NiCu3Ni6Pd3 cuboctahedra, edges with nine equivalent CuCu6Ni3Pd3 cuboctahedra, faces with six equivalent PdCu3Ni3Pd6 cuboctahedra, faces with six equivalent NiCu3Ni6Pd3 cuboctahedra, and faces with six equivalent CuCu6Ni3Pd3 cuboctahedra. All Pd–Pd bond lengths are 2.66 Å. All Pd–Ni bond lengths are 2.66 Å. All Pd–Cu bond lengths are 2.69 Å. Ni is bonded to three equivalent Pd, six equivalent Ni, and three equivalent Cu atoms to form NiCu3Ni6Pd3 cuboctahedra that share corners with three equivalent PdCu3Ni3Pd6 cuboctahedra, corners with three equivalent CuCu6Ni3Pd3 cuboctahedra, corners with six equivalent NiCu3Ni6Pd3 cuboctahedra, edges with six equivalent NiCu3Ni6Pd3 cuboctahedra, edges with nine equivalent PdCu3Ni3Pd6 cuboctahedra, edges with nine equivalent CuCu6Ni3Pd3 cuboctahedra, faces with six equivalent PdCu3Ni3Pd6 cuboctahedra, faces with six equivalent NiCu3Ni6Pd3 cuboctahedra, and faces with six equivalent CuCu6Ni3Pd3 cuboctahedra. All Ni–Ni bond lengths are 2.66 Å. All Ni–Cu bond lengths are 2.49 Å. Cu is bonded to three equivalent Pd, three equivalent Ni, and six equivalent Cu atoms to form CuCu6Ni3Pd3 cuboctahedra that share corners with three equivalent PdCu3Ni3Pd6 cuboctahedra, corners with three equivalent NiCu3Ni6Pd3 cuboctahedra, corners with six equivalent CuCu6Ni3Pd3 cuboctahedra, edges with six equivalent CuCu6Ni3Pd3 cuboctahedra, edges with nine equivalent PdCu3Ni3Pd6 cuboctahedra, edges with nine equivalent NiCu3Ni6Pd3 cuboctahedra, faces with six equivalent PdCu3Ni3Pd6 cuboctahedra, faces with six equivalent NiCu3Ni6Pd3 cuboctahedra, and faces with six equivalent CuCu6Ni3Pd3 cuboctahedra. All Cu–Cu bond lengths are 2.66 Å.
DOI: 10.17188/1685768
title: Materials Data on CdBiBF10 by Materials Project

description: Cd(BF4)(BiF6) crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cd–F bond distances ranging from 2.33–2.43 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. Bi5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Bi–F bond distances ranging from 2.01–2.07 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one Bi5+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one Cd2+ and one Bi5+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Cd2+ and one Bi5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Cd2+ and one Bi5+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the ninth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom.
DOI: 10.17188/1685769
title: Materials Data on Mg(PO5)2 by Materials Project

description: MgO6(PO2)2 is Zincblende, Sphalerite structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two magnesium;dihydroxide;tetrahydrate molecules and two PO2 clusters. In each PO2 cluster, there are two inequivalent P sites. In the first P site, P is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.46 Å) and two longer (1.53 Å) P–O bond length. In the second P site, P is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.47 Å) and two longer (2.04 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in an L-shaped geometry to two P atoms.
DOI: 10.17188/1685770
title: Materials Data on Ta(PO4)2 by Materials Project

description: Ta(PO4)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded to six O atoms to form TaO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ta–O bond distances ranging from 1.95–1.99 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 11–26°. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–25°. There is one shorter (1.50 Å) and three longer (1.56 Å) P–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ta and one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Ta and one P atom. In the fourth O site, O is bonded in a linear geometry to one Ta and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one P atom. In the sixth O site, O is bonded in a linear geometry to one Ta and one P atom.
DOI: 10.17188/1685771
title: Materials Data on Li8TiMn3(PO4)6 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: 10.17188/1685772
title: Materials Data on KErP2O9 by Materials Project

description: KErP2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.71–3.22 Å. Er is bonded to seven O atoms to form distorted ErO7 pentagonal bipyramids that share corners with six PO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.25–2.56 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent ErO7 pentagonal bipyramids and a cornercorner with one PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent ErO7 pentagonal bipyramids and a cornercorner with one PO4 tetrahedra. There is three shorter (1.53 Å) and one longer (1.65 Å) P–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one K, one Er, and one P atom. In the second O site, O is bonded in a 3-coordinate geometry to one K, one Er, and one P atom. In the third O site, O is bonded in a 3-coordinate geometry to one K, one Er, and one P atom. In the fourth O site, O is bonded in a 1-coordinate geometry to one K and one O atom. The O–O bond length is 2.02 Å. In the fifth O site, O is bonded in a 1-coordinate geometry to one K, one Er, and one P atom. In the sixth O site, O is bonded in a 1-coordinate geometry to one K, one Er, and one O atom. In the seventh O site, O is bonded in a 3-coordinate geometry to one K, one Er, and one P atom. In the eighth O site, O is bonded in a 2-coordinate geometry to one K, one Er, and one P atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one K and two P atoms.
DOI: 10.17188/1685773
title: Materials Data on Zr10(IrPt)3 by Materials Project

description: Zr10(IrPt)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to three equivalent Ir and three equivalent Pt atoms. All Zr–Ir bond lengths are 2.87 Å. All Zr–Pt bond lengths are 2.88 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to three equivalent Ir and two equivalent Pt atoms. There are two shorter (2.81 Å) and one longer (2.97 Å) Zr–Ir bond lengths. Both Zr–Pt bond lengths are 3.02 Å. In the third Zr site, Zr is bonded in a 5-coordinate geometry to two equivalent Ir and three equivalent Pt atoms. Both Zr–Ir bond lengths are 3.00 Å. There are two shorter (2.82 Å) and one longer (2.94 Å) Zr–Pt bond lengths. Ir is bonded in a 9-coordinate geometry to nine Zr atoms. Pt is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1685774
title: Materials Data on La3AlCdS7 by Materials Project

description: La3CdAlS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.86–3.32 Å. Cd2+ is bonded to six equivalent S2- atoms to form face-sharing CdS6 octahedra. There are three shorter (2.73 Å) and three longer (2.76 Å) Cd–S bond lengths. Al3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.24 Å) and three longer (2.27 Å) Al–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Cd2+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Al3+ atom. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Al3+ atom.
DOI: 10.17188/1685775
title: Materials Data on Fe10O11F9 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: 10.17188/1685776
title: Materials Data on LiMnO7 by Materials Project

description: LiO3MnO4 is Bismuth triodide-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two mangan(iv)-hydroxyd molecules and one LiO3 ribbon oriented in the (0, 0, 1) direction. In the LiO3 ribbon, Li is bonded to six equivalent O atoms to form distorted face-sharing LiO6 octahedra. All Li–O bond lengths are 1.94 Å. O is bonded in an L-shaped geometry to two equivalent Li atoms.
DOI: 10.17188/1685777
title: Materials Data on UHg3 by Materials Project

description: UHg3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. U is bonded to six equivalent U and six equivalent Hg atoms to form UU6Hg6 cuboctahedra that share corners with six equivalent UU6Hg6 cuboctahedra, corners with twelve equivalent HgHg12 cuboctahedra, edges with six equivalent UU6Hg6 cuboctahedra, edges with twelve equivalent HgU3Hg9 cuboctahedra, faces with six equivalent UU6Hg6 cuboctahedra, and faces with fourteen HgHg12 cuboctahedra. All U–U bond lengths are 3.18 Å. All U–Hg bond lengths are 3.30 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to twelve Hg atoms to form HgHg12 cuboctahedra that share corners with six equivalent HgHg12 cuboctahedra, corners with twelve equivalent UU6Hg6 cuboctahedra, edges with eighteen HgHg12 cuboctahedra, faces with two equivalent UU6Hg6 cuboctahedra, and faces with eighteen HgHg12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.26 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded to three equivalent U and nine Hg atoms to form distorted HgU3Hg9 cuboctahedra that share corners with eighteen equivalent HgU3Hg9 cuboctahedra, edges with six equivalent UU6Hg6 cuboctahedra, edges with twelve HgHg12 cuboctahedra, faces with six equivalent UU6Hg6 cuboctahedra, and faces with fourteen HgHg12 cuboctahedra. All Hg–Hg bond lengths are 3.18 Å.
DOI: 10.17188/1685779
title: Materials Data on Li3Mn4NiO8 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: 10.17188/1685780
title: Materials Data on TlH12C4S2I3O2 by Materials Project

description: TlC4H12S2O2I3 is gamma plutonium structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four TlC4H12S2O2I3 clusters. Tl1+ is bonded in a trigonal bipyramidal geometry to two equivalent O2- and three I1- atoms. Both Tl–O bond lengths are 2.56 Å. There are one shorter (2.78 Å) and two longer (2.80 Å) Tl–I bond lengths. There are two inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–S bond length is 1.81 Å. In the second C+0.50- site, C+0.50- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.80 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+0.50- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+0.50- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+0.50- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.50- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.50- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.50- atom. S2- is bonded in a distorted single-bond geometry to two C+0.50- and one O2- atom. The S–O bond length is 1.53 Å. O2- is bonded in a distorted bent 120 degrees geometry to one Tl1+ and one S2- atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Tl1+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Tl1+ atom.
DOI: 10.17188/1685781
title: Materials Data on Ca2Al2SiO8 by Materials Project

description: Ca2Al2SiO8 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ca is bonded to six O atoms to form distorted CaO6 octahedra that share corners with two equivalent SiO4 tetrahedra, corners with four equivalent AlO4 tetrahedra, and edges with three equivalent CaO6 octahedra. There are a spread of Ca–O bond distances ranging from 2.33–2.44 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four equivalent CaO6 octahedra, corners with two equivalent AlO4 tetrahedra, and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 67–69°. There is two shorter (1.75 Å) and two longer (1.79 Å) Al–O bond length. Si is bonded to four equivalent O atoms to form SiO4 tetrahedra that share corners with four equivalent CaO6 octahedra and corners with four equivalent AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. All Si–O bond lengths are 1.64 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Ca atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Ca and two equivalent Al atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Ca, one Al, and one Si atom.
DOI: 10.17188/1685782
title: Materials Data on Ag6Ge(S2Br)2 by Materials Project

description: Ag6GeS4Br2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to two equivalent S2- and three Br1- atoms. Both Ag–S bond lengths are 2.53 Å. There are a spread of Ag–Br bond distances ranging from 2.68–3.62 Å. In the second Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to three S2- and two equivalent Br1- atoms. There are a spread of Ag–S bond distances ranging from 2.53–3.00 Å. There are one shorter (2.76 Å) and one longer (3.37 Å) Ag–Br bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two S2- and two equivalent Br1- atoms. There are one shorter (2.47 Å) and one longer (2.60 Å) Ag–S bond lengths. There are one shorter (2.81 Å) and one longer (3.22 Å) Ag–Br bond lengths. In the fourth Ag1+ site, Ag1+ is bonded to four S2- and two equivalent Br1- atoms to form distorted AgS4Br2 octahedra that share edges with two equivalent AgS4Br2 octahedra and edges with two equivalent GeS4 tetrahedra. There are two shorter (2.57 Å) and two longer (3.23 Å) Ag–S bond lengths. Both Ag–Br bond lengths are 3.09 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share edges with two equivalent AgS4Br2 octahedra. There are a spread of Ge–S bond distances ranging from 2.23–2.30 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Ag1+ and one Ge4+ atom. In the third S2- site, S2- is bonded to four Ag1+ and one Ge4+ atom to form distorted corner-sharing SAg4Ge square pyramids. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 7-coordinate geometry to seven Ag1+ atoms. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to six Ag1+ atoms.