cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1733723
title: Materials Data on Cs2TmCl5O by Materials Project

description: Cs2TmOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.56–4.13 Å. Tm is bonded in a distorted octahedral geometry to one O and five Cl atoms. The Tm–O bond length is 2.24 Å. There are a spread of Tm–Cl bond distances ranging from 2.57–2.73 Å. O is bonded in a single-bond geometry to one Tm and one Cl atom. The O–Cl bond length is 2.42 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Cs and one Tm atom. In the second Cl site, Cl is bonded in a 3-coordinate geometry to four equivalent Cs, one Tm, and one O atom. In the third Cl site, Cl is bonded in a distorted single-bond geometry to three equivalent Cs and one Tm atom. In the fourth Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Cs and one Tm atom.
DOI: 10.17188/1733724
title: Materials Data on Er7(TeRh)2 by Materials Project

description: Er7(RhTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to two equivalent Rh and three Te atoms. Both Er–Rh bond lengths are 2.83 Å. There are one shorter (3.11 Å) and two longer (3.17 Å) Er–Te bond lengths. In the second Er site, Er is bonded in a 4-coordinate geometry to three equivalent Rh and one Te atom. There are two shorter (2.82 Å) and one longer (3.13 Å) Er–Rh bond lengths. The Er–Te bond length is 3.17 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent Te atoms. Both Er–Rh bond lengths are 2.86 Å. Both Er–Te bond lengths are 3.16 Å. In the fourth Er site, Er is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.17 Å) and one longer (3.20 Å) Er–Te bond lengths. Rh is bonded in a 7-coordinate geometry to seven Er atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Er atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to seven Er atoms.
DOI: 10.17188/1733725
title: Materials Data on Ti5CN4 by Materials Project

description: Ti5CN4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ti+3.20+ sites. In the first Ti+3.20+ site, Ti+3.20+ is bonded to six N3- atoms to form a mixture of edge and corner-sharing TiN6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Ti–N bond lengths are 2.13 Å. In the second Ti+3.20+ site, Ti+3.20+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing TiN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–N bond lengths are 2.14 Å. In the third Ti+3.20+ site, Ti+3.20+ is bonded to three equivalent C4- and three equivalent N3- atoms to form a mixture of edge and corner-sharing TiC3N3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Ti–C bond lengths are 2.13 Å. All Ti–N bond lengths are 2.16 Å. C4- is bonded to six equivalent Ti+3.20+ atoms to form CTi6 octahedra that share corners with six equivalent NTi6 octahedra, edges with six equivalent CTi6 octahedra, and edges with six equivalent NTi6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six Ti+3.20+ atoms to form NTi6 octahedra that share corners with three equivalent CTi6 octahedra, corners with three equivalent NTi6 octahedra, edges with three equivalent CTi6 octahedra, and edges with nine NTi6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second N3- site, N3- is bonded to six Ti+3.20+ atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1733726
title: Materials Data on Sr4Pd by Materials Project

description: Sr4Pd is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Sr4Pd clusters. Sr is bonded in a single-bond geometry to one Pd atom. The Sr–Pd bond length is 2.86 Å. Pd is bonded in a tetrahedral geometry to four equivalent Sr atoms.
DOI: 10.17188/1733727
title: Materials Data on Ca7RhN6 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: 10.17188/1733728
title: Materials Data on U4SiNi7 by Materials Project

description: U4Ni7Si is Hexagonal Laves-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to four U, nine equivalent Ni, and three equivalent Si atoms. There are one shorter (2.79 Å) and three longer (3.20 Å) U–U bond lengths. There are six shorter (2.85 Å) and three longer (2.96 Å) U–Ni bond lengths. All U–Si bond lengths are 3.00 Å. In the second U site, U is bonded in a 12-coordinate geometry to four U and twelve Ni atoms. All U–U bond lengths are 3.09 Å. There are a spread of U–Ni bond distances ranging from 2.88–2.97 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to six U, five Ni, and one Si atom to form NiU6SiNi5 cuboctahedra that share corners with two equivalent SiU6Ni6 cuboctahedra, corners with sixteen NiU6SiNi5 cuboctahedra, edges with six equivalent NiU6SiNi5 cuboctahedra, faces with three equivalent SiU6Ni6 cuboctahedra, and faces with fifteen NiU6SiNi5 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.48–2.55 Å. The Ni–Si bond length is 2.43 Å. In the second Ni site, Ni is bonded to six equivalent U and six equivalent Ni atoms to form NiU6Ni6 cuboctahedra that share corners with twelve equivalent NiU6SiNi5 cuboctahedra, edges with six equivalent NiU6Ni6 cuboctahedra, faces with two equivalent SiU6Ni6 cuboctahedra, and faces with eighteen equivalent NiU6SiNi5 cuboctahedra. Si is bonded to six equivalent U and six equivalent Ni atoms to form SiU6Ni6 cuboctahedra that share corners with twelve equivalent NiU6SiNi5 cuboctahedra, edges with six equivalent SiU6Ni6 cuboctahedra, and faces with twenty NiU6Ni6 cuboctahedra.
DOI: 10.17188/1733729
title: Materials Data on Y2GaNi2 by Materials Project

description: Y2Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Ga atoms. There are two shorter (2.91 Å) and four longer (2.94 Å) Y–Ni bond lengths. There are two shorter (3.20 Å) and two longer (3.25 Å) Y–Ga bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Y, one Ni, and two equivalent Ga atoms. The Ni–Ni bond length is 2.41 Å. Both Ni–Ga bond lengths are 2.58 Å. Ga is bonded to eight equivalent Y and four equivalent Ni atoms to form a mixture of edge and face-sharing GaY8Ni4 cuboctahedra.
DOI: 10.17188/1733731
title: Materials Data on Pr2VFeO6 by Materials Project

description: Pr2VFeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.78 Å. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are two shorter (2.04 Å) and four longer (2.06 Å) V–O bond lengths. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are four shorter (2.04 Å) and two longer (2.05 Å) Fe–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pr3+, one V3+, and one Fe3+ atom to form distorted corner-sharing OPr2VFe tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Pr3+, one V3+, and one Fe3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Pr3+, one V3+, and one Fe3+ atom.
DOI: 10.17188/1733733
title: Materials Data on NaCaAlSi2O7 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: 10.17188/1733734
title: Materials Data on BaSr3Cu8(BO3)8 by Materials Project

description: BaSr3Cu8(BO3)8 crystallizes in the orthorhombic P222 space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.75 Å) and four longer (2.80 Å) Ba–O bond lengths. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.66 Å) and four longer (2.72 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.65 Å) and four longer (2.72 Å) Sr–O bond lengths. In the third Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.66 Å) and four longer (2.73 Å) Sr–O bond lengths. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–1.97 Å. In the second Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–1.99 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.39 Å) B–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Sr2+, one Cu2+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sr2+, one Cu2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Sr2+, one Cu2+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sr2+, one Cu2+, and one B3+ atom.
DOI: 10.17188/1733735
title: Materials Data on SbSO2F7 by Materials Project

description: SbF5SO2F2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four sulfuryl fluoride molecules and four SbF5 clusters. In each SbF5 cluster, Sb5+ is bonded in a distorted trigonal bipyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.87–1.90 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.
DOI: 10.17188/1733736
title: Materials Data on Zn2NiWO6 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: 10.17188/1733737
title: Materials Data on CuH12C6(Br3N2)2 by Materials Project

description: CuBr4(C3N2H6Br)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four i14-4024 molecules and two CuBr4 clusters. In each CuBr4 cluster, Cu2+ is bonded in a distorted trigonal pyramidal geometry to four Br1- atoms. There are a spread of Cu–Br bond distances ranging from 2.39–2.43 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Cu2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Cu2+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Cu2+ atom.
DOI: 10.17188/1733738
title: Materials Data on NaMn(PO3)3 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: 10.17188/1733739
title: Materials Data on Er10NiSb5 by Materials Project

description: Er10NiSb5 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are eight inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to one Ni and four Sb atoms. The Er–Ni bond length is 2.88 Å. There are a spread of Er–Sb bond distances ranging from 3.02–3.48 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to one Ni and four Sb atoms. The Er–Ni bond length is 2.77 Å. There are a spread of Er–Sb bond distances ranging from 3.16–3.45 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to six Sb atoms. There are a spread of Er–Sb bond distances ranging from 3.02–3.46 Å. In the fourth Er site, Er is bonded in a 5-coordinate geometry to one Ni and four Sb atoms. The Er–Ni bond length is 2.72 Å. There are two shorter (3.21 Å) and two longer (3.23 Å) Er–Sb bond lengths. In the fifth Er site, Er is bonded to five Sb atoms to form distorted ErSb5 square pyramids that share a cornercorner with one ErSb5 trigonal bipyramid, edges with two equivalent ErNiSb4 square pyramids, and edges with two equivalent ErSb5 trigonal bipyramids. There are a spread of Er–Sb bond distances ranging from 3.08–3.12 Å. In the sixth Er site, Er is bonded to one Ni and four Sb atoms to form a mixture of distorted corner and edge-sharing ErNiSb4 square pyramids. The Er–Ni bond length is 2.87 Å. There are two shorter (3.14 Å) and two longer (3.15 Å) Er–Sb bond lengths. In the seventh Er site, Er is bonded to five Sb atoms to form a mixture of distorted corner and edge-sharing ErSb5 trigonal bipyramids. There are a spread of Er–Sb bond distances ranging from 2.97–3.24 Å. In the eighth Er site, Er is bonded in a 5-coordinate geometry to one Ni and four Sb atoms. The Er–Ni bond length is 2.77 Å. There are two shorter (3.22 Å) and two longer (3.25 Å) Er–Sb bond lengths. Ni is bonded in a 7-coordinate geometry to seven Er atoms. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to nine Er atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Er atoms. In the third Sb site, Sb is bonded in a 8-coordinate geometry to eight Er atoms.
DOI: 10.17188/1733740
title: Materials Data on U2Be25Ga by Materials Project

description: Be25U2Ga crystallizes in the cubic Fm-3 space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a cuboctahedral geometry to twelve equivalent Be atoms. All Be–Be bond lengths are 2.13 Å. In the second Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent U atoms. There are a spread of Be–Be bond distances ranging from 2.17–2.31 Å. Both Be–U bond lengths are 3.03 Å. In the third Be site, Be is bonded in a 12-coordinate geometry to nine Be, two equivalent U, and one Ga atom. There are four shorter (2.34 Å) and one longer (2.54 Å) Be–Be bond lengths. Both Be–U bond lengths are 2.96 Å. The Be–Ga bond length is 2.26 Å. U is bonded in a 12-coordinate geometry to twenty-four Be atoms. Ga is bonded in a cuboctahedral geometry to twelve equivalent Be atoms.
DOI: 10.17188/1733741
title: Materials Data on AlF3 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: 10.17188/1733742
title: Materials Data on Cd2SiO2 by Materials Project

description: Cd2SiO2 crystallizes in the orthorhombic Fddd space group. The structure is one-dimensional and consists of four Cd2SiO2 ribbons oriented in the (1, 1, 0) direction. Cd is bonded in a distorted water-like geometry to two equivalent O atoms. There are one shorter (2.35 Å) and one longer (2.41 Å) Cd–O bond lengths. Si is bonded in a linear geometry to two equivalent O atoms. Both Si–O bond lengths are 1.61 Å. O is bonded in a distorted trigonal planar geometry to two equivalent Cd and one Si atom.
DOI: 10.17188/1733743
title: Materials Data on Al2S3 by Materials Project

description: Al2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Al3+ is bonded to six equivalent S2- atoms to form a mixture of face, edge, and corner-sharing AlS6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are three shorter (2.39 Å) and three longer (2.47 Å) Al–S bond lengths. S2- is bonded to four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SAl4 trigonal pyramids.
DOI: 10.17188/1733744
title: Materials Data on AlO3 by Materials Project

description: AlO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two AlO3 sheets oriented in the (-1, 0, 1) direction. there are two inequivalent Al sites. In the first Al site, Al is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Al–O bond distances ranging from 1.78–2.00 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Al–O bond distances ranging from 1.81–2.07 Å. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two Al atoms. In the second O site, O is bonded in a water-like geometry to two Al atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent Al and one O atom. The O–O bond length is 1.55 Å. In the fifth O site, O is bonded in a 3-coordinate geometry to two Al and one O atom. The O–O bond length is 1.42 Å. In the sixth O site, O is bonded in a 3-coordinate geometry to two Al and one O atom.
DOI: 10.17188/1733745
title: Materials Data on RbIO3 by Materials Project

description: RbO3I crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one RbO3I sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (3.00 Å) and two longer (3.12 Å) Rb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent O2- atoms. Both O–O bond lengths are 1.32 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+, one O2-, and one I5+ atom. The O–I bond length is 3.04 Å. I5+ is bonded in a 4-coordinate geometry to two equivalent O2- atoms.
DOI: 10.17188/1733746
title: Materials Data on Cu3TePbO7 by Materials Project

description: Cu3PbTeO7 crystallizes in the orthorhombic Pnma 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 a cornercorner with one TeO6 octahedra, corners with two equivalent CuO6 octahedra, corners with two equivalent PbO7 pentagonal bipyramids, edges with two equivalent TeO6 octahedra, edges with three equivalent CuO6 octahedra, and an edgeedge with one PbO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 19–59°. There are a spread of Cu–O bond distances ranging from 1.95–2.57 Å. In the second Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.89–2.09 Å. Pb2+ is bonded to seven O2- atoms to form distorted PbO7 pentagonal bipyramids that share corners with two equivalent TeO6 octahedra, corners with four equivalent CuO6 octahedra, edges with two equivalent CuO6 octahedra, edges with two equivalent TeO6 octahedra, and edges with two equivalent PbO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 52–70°. There are a spread of Pb–O bond distances ranging from 2.46–2.97 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent CuO6 octahedra, corners with two equivalent PbO7 pentagonal bipyramids, edges with four equivalent CuO6 octahedra, and edges with two equivalent PbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are a spread of Te–O bond distances ranging from 1.91–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Cu2+, one Pb2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+, two equivalent Pb2+, and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Cu2+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted tetrahedral geometry to three Cu2+ and one Pb2+ atom. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Cu2+ and one Te6+ atom.
DOI: 10.17188/1733749
title: Materials Data on V3GeN by Materials Project

description: V3GeN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a distorted bent 150 degrees geometry to two equivalent Ge and two equivalent N atoms. Both V–Ge bond lengths are 2.57 Å. Both V–N bond lengths are 1.97 Å. In the second V site, V is bonded in a distorted water-like geometry to three equivalent Ge and two equivalent N atoms. There are two shorter (2.57 Å) and one longer (2.58 Å) V–Ge bond lengths. Both V–N bond lengths are 2.02 Å. Ge is bonded in a 8-coordinate geometry to eight V atoms. N is bonded to six V atoms to form a mixture of edge and corner-sharing NV6 octahedra. The corner-sharing octahedral tilt angles are 24°.