cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1746307
title: Materials Data on LiMnF5 by Materials Project

description: LiMnF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 26–35°. There is three shorter (1.91 Å) and one longer (1.93 Å) Li–F bond length. Mn4+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with two equivalent MnF6 octahedra and corners with four equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Mn–F bond distances ranging from 1.82–1.92 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn4+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn4+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Mn4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn4+ atom.
DOI: 10.17188/1746308
title: Materials Data on Li7Mn4CoO12 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: 10.17188/1746309
title: Materials Data on Mg4Si3 by Materials Project

description: Mg4Si3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to five Mg and two Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.53–3.08 Å. There are one shorter (3.19 Å) and one longer (3.28 Å) Mg–Si bond lengths. In the second Mg site, Mg is bonded in a 4-coordinate geometry to two Mg and four Si atoms. The Mg–Mg bond length is 2.91 Å. There are a spread of Mg–Si bond distances ranging from 2.20–2.76 Å. In the third Mg site, Mg is bonded in a 1-coordinate geometry to five Mg and three Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.69–2.84 Å. There are a spread of Mg–Si bond distances ranging from 3.09–3.23 Å. In the fourth Mg site, Mg is bonded in a 3-coordinate geometry to three Mg and one Si atom. The Mg–Mg bond length is 2.44 Å. The Mg–Si bond length is 2.98 Å. In the fifth Mg site, Mg is bonded in a 1-coordinate geometry to two Mg and three Si atoms. The Mg–Mg bond length is 1.89 Å. There are a spread of Mg–Si bond distances ranging from 2.16–2.92 Å. In the sixth Mg site, Mg is bonded in a 7-coordinate geometry to six Mg and one Si atom. There are one shorter (2.69 Å) and one longer (2.84 Å) Mg–Mg bond lengths. The Mg–Si bond length is 2.99 Å. In the seventh Mg site, Mg is bonded in a 3-coordinate geometry to two Mg and three Si atoms. There are a spread of Mg–Si bond distances ranging from 2.34–2.74 Å. In the eighth Mg site, Mg is bonded in a 1-coordinate geometry to three Mg and two Si atoms. There are one shorter (2.14 Å) and one longer (2.86 Å) Mg–Si bond lengths. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to one Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 1.80–2.52 Å. In the second Si site, Si is bonded in a 3-coordinate geometry to three Mg and two Si atoms. The Si–Si bond length is 2.19 Å. In the third Si site, Si is bonded in a 1-coordinate geometry to four Mg atoms. In the fourth Si site, Si is bonded in a 3-coordinate geometry to three Mg and one Si atom. In the fifth Si site, Si is bonded in a 7-coordinate geometry to five Mg and two Si atoms. In the sixth Si site, Si is bonded in a 2-coordinate geometry to three Mg atoms.
DOI: 10.17188/1746310
title: Materials Data on Si(NF2)2 by Materials Project

description: N2SiF4 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of twelve ammonia molecules and six silane, tetrafluoro- molecules.
DOI: 10.17188/1746311
title: Materials Data on GdLuAg2 by Materials Project

description: LuGdAg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Lu–Ag bond lengths are 3.15 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Gd–Ag bond lengths are 3.15 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Gd atoms.
DOI: 10.17188/1746312
title: Materials Data on Eu3Cr by Materials Project

description: Eu3Cr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded to eight equivalent Eu and four equivalent Cr atoms to form distorted EuEu8Cr4 cuboctahedra that share corners with four equivalent CrEu12 cuboctahedra, corners with fourteen equivalent EuEu8Cr4 cuboctahedra, edges with six equivalent CrEu12 cuboctahedra, edges with twelve equivalent EuEu8Cr4 cuboctahedra, faces with four equivalent CrEu12 cuboctahedra, and faces with sixteen equivalent EuEu8Cr4 cuboctahedra. There are a spread of Eu–Eu bond distances ranging from 3.61–3.88 Å. There are two shorter (3.61 Å) and two longer (3.75 Å) Eu–Cr bond lengths. Cr is bonded to twelve equivalent Eu atoms to form CrEu12 cuboctahedra that share corners with six equivalent CrEu12 cuboctahedra, corners with twelve equivalent EuEu8Cr4 cuboctahedra, edges with eighteen equivalent EuEu8Cr4 cuboctahedra, faces with eight equivalent CrEu12 cuboctahedra, and faces with twelve equivalent EuEu8Cr4 cuboctahedra.
DOI: 10.17188/1746313
title: Materials Data on AgPd2Au by Materials Project

description: Pd2AuAg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Pd2AuAg ribbons oriented in the (1, 0, 0) direction. Pd is bonded in a linear geometry to one Au and one Ag atom. The Pd–Au bond length is 2.60 Å. The Pd–Ag bond length is 2.67 Å. Au is bonded in a linear geometry to two equivalent Pd atoms. Ag is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1746315
title: Materials Data on Ba7GeB3ClO13 by Materials Project

description: Ba7B3GeO13Cl crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are six inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to seven O2- and two equivalent Cl1- atoms. There are a spread of Ba–O bond distances ranging from 2.63–3.06 Å. There are one shorter (3.11 Å) and one longer (3.27 Å) Ba–Cl bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.57–3.09 Å. In the third Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.06 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–3.01 Å. In the fifth Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Ba–O bond distances ranging from 2.70–3.30 Å. The Ba–Cl bond length is 3.32 Å. In the sixth Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.76–3.14 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 two shorter (1.39 Å) and one longer (1.41 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.39 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.76–1.79 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Ba2+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Ba2+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Ba2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five Ba2+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to four Ba2+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to five Ba2+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to four Ba2+ and one B3+ atom. Cl1- is bonded in a 4-coordinate geometry to four Ba2+ atoms.
DOI: 10.17188/1746316
title: Materials Data on Tb5(Sn3Rh)6 by Materials Project

description: Tb5Rh6Sn18 crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four tin powder molecules and one Tb5Rh6Sn17 framework. In the Tb5Rh6Sn17 framework, there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 1-coordinate geometry to three equivalent Rh and ten Sn atoms. All Tb–Rh bond lengths are 3.05 Å. There are a spread of Tb–Sn bond distances ranging from 2.91–3.41 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to six equivalent Rh and twelve equivalent Sn atoms. All Tb–Rh bond lengths are 3.56 Å. All Tb–Sn bond lengths are 3.47 Å. Rh is bonded in a 9-coordinate geometry to three Tb and six Sn atoms. There are four shorter (2.69 Å) and two longer (2.83 Å) Rh–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a tetrahedral geometry to four equivalent Tb atoms. In the second Sn site, Sn is bonded in a hexagonal planar geometry to three equivalent Tb and three equivalent Rh atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to three Tb and two equivalent Rh atoms.
DOI: 10.17188/1746317
title: Materials Data on Sc2VO5 by Materials Project

description: Sc2VO5 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Sc+2.50+ sites. In the first Sc+2.50+ site, Sc+2.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.10 Å) and two longer (2.29 Å) Sc–O bond lengths. In the second Sc+2.50+ site, Sc+2.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.07–2.66 Å. In the third Sc+2.50+ site, Sc+2.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.06–2.49 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with three equivalent VO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of V–O bond distances ranging from 1.85–2.22 Å. In the second V5+ site, V5+ is bonded to four equivalent O2- atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. All V–O bond lengths are 1.76 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sc+2.50+ atoms to form distorted OSc4 tetrahedra that share corners with nine OSc4 tetrahedra, corners with two equivalent OSc2V2 trigonal pyramids, and an edgeedge with one OSc3V tetrahedra. In the second O2- site, O2- is bonded to three Sc+2.50+ and one V5+ atom to form distorted OSc3V tetrahedra that share corners with five OSc4 tetrahedra, a cornercorner with one OSc2V2 trigonal pyramid, and edges with five OSc4 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Sc+2.50+ and two equivalent V5+ atoms to form distorted corner-sharing OSc2V2 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Sc+2.50+ atoms. In the fifth O2- site, O2- is bonded to four equivalent Sc+2.50+ atoms to form OSc4 tetrahedra that share corners with eight OSc4 tetrahedra and edges with four equivalent OSc3V tetrahedra. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sc+2.50+ and one V5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Sc+2.50+ and two V5+ atoms. In the eighth O2- site, O2- is bonded to two Sc+2.50+ and two equivalent V5+ atoms to form distorted OSc2V2 tetrahedra that share corners with seven OSc4 tetrahedra, corners with two equivalent OSc2V2 trigonal pyramids, and edges with three equivalent OSc3V tetrahedra.
DOI: 10.17188/1746318
title: Materials Data on MgGa by Materials Project

description: MgGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgGa6 cuboctahedra. All Mg–Ga bond lengths are 2.96 Å. Ga is bonded in a 12-coordinate geometry to six equivalent Mg atoms.
DOI: 10.17188/1746319
title: Materials Data on Li9Mn5(SiO8)2 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: 10.17188/1746320
title: Materials Data on Sm3Fe5O12 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: 10.17188/1746321
title: Materials Data on Ti2As4W3 by Materials Project

description: Ti2W3As4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded in a rectangular see-saw-like geometry to four As3- atoms. There are a spread of Ti–As bond distances ranging from 2.76–2.81 Å. In the second Ti3+ site, Ti3+ is bonded to five As3- atoms to form distorted TiAs5 trigonal bipyramids that share corners with eight WAs5 trigonal bipyramids, edges with two equivalent WAs5 square pyramids, edges with two equivalent TiAs5 trigonal bipyramids, and edges with two WAs5 trigonal bipyramids. There are a spread of Ti–As bond distances ranging from 2.50–2.60 Å. There are three inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five As3- atoms to form WAs5 square pyramids that share corners with eight WAs5 trigonal bipyramids, edges with two equivalent WAs5 square pyramids, edges with two equivalent TiAs5 trigonal bipyramids, and edges with two WAs5 trigonal bipyramids. There are a spread of W–As bond distances ranging from 2.59–2.64 Å. In the second W2+ site, W2+ is bonded to five As3- atoms to form distorted WAs5 trigonal bipyramids that share corners with four equivalent WAs5 square pyramids, corners with four equivalent TiAs5 trigonal bipyramids, an edgeedge with one WAs5 square pyramid, an edgeedge with one TiAs5 trigonal bipyramid, and edges with four WAs5 trigonal bipyramids. There are a spread of W–As bond distances ranging from 2.55–2.61 Å. In the third W2+ site, W2+ is bonded to five As3- atoms to form WAs5 trigonal bipyramids that share corners with four equivalent WAs5 square pyramids, corners with four equivalent TiAs5 trigonal bipyramids, an edgeedge with one WAs5 square pyramid, an edgeedge with one TiAs5 trigonal bipyramid, and edges with four WAs5 trigonal bipyramids. There are a spread of W–As bond distances ranging from 2.56–2.65 Å. There are four inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to two Ti3+ and four W2+ atoms. In the second As3- site, As3- is bonded in a 6-coordinate geometry to three Ti3+ and three W2+ atoms. In the third As3- site, As3- is bonded in a distorted hexagonal planar geometry to one Ti3+ and five W2+ atoms. In the fourth As3- site, As3- is bonded in a distorted hexagonal planar geometry to three Ti3+ and three W2+ atoms.
DOI: 10.17188/1746322
title: Materials Data on Cd2TeSe by Materials Project

description: Cd2TeSe is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to three equivalent Te2- and one Se2- atom to form corner-sharing CdTe3Se tetrahedra. All Cd–Te bond lengths are 2.82 Å. The Cd–Se bond length is 2.68 Å. In the second Cd2+ site, Cd2+ is bonded to one Te2- and three equivalent Se2- atoms to form corner-sharing CdTeSe3 tetrahedra. The Cd–Te bond length is 2.88 Å. All Cd–Se bond lengths are 2.74 Å. Te2- is bonded to four Cd2+ atoms to form TeCd4 tetrahedra that share corners with six equivalent TeCd4 tetrahedra and corners with six equivalent SeCd4 tetrahedra. Se2- is bonded to four Cd2+ atoms to form SeCd4 tetrahedra that share corners with six equivalent TeCd4 tetrahedra and corners with six equivalent SeCd4 tetrahedra.
DOI: 10.17188/1746323
title: Materials Data on AgC2N3 by Materials Project

description: AgC2N3 crystallizes in the trigonal P3_121 space group. The structure is one-dimensional and consists of one AgC2N3 ribbon oriented in the (0, 0, 1) direction. Ag1+ is bonded in a linear geometry to two equivalent C4+ atoms. Both Ag–C bond lengths are 2.08 Å. C4+ is bonded in a distorted linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one N3- atom. The N–N bond length is 1.31 Å. In the second N3- site, N3- is bonded in a water-like geometry to two equivalent N3- atoms.
DOI: 10.17188/1746324
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are a spread of Ce–Se bond distances ranging from 2.72–2.74 Å. In the second Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are three shorter (2.73 Å) and one longer (2.74 Å) Ce–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the second Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the third Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the fourth Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms.
DOI: 10.17188/1746325
title: Materials Data on LiNi(PO3)4 by Materials Project

description: LiNi(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (2.04 Å) Li–O bond length. Ni3+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ni–O bond distances ranging from 2.05–2.12 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one NiO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent NiO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–40°. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ni3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ni3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ni3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms.
DOI: 10.17188/1746326
title: Materials Data on Y3Pd4 by Materials Project

description: Y3Pd4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Y–Pd bond distances ranging from 2.87–3.34 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Y atoms. In the second Pd site, Pd is bonded in a distorted octahedral geometry to six equivalent Y atoms. In the third Pd site, Pd is bonded in a 10-coordinate geometry to seven equivalent Y and three equivalent Pd atoms. There are one shorter (2.96 Å) and two longer (3.00 Å) Pd–Pd bond lengths.
DOI: 10.17188/1746327
title: Materials Data on Y2AgPb by Materials Project

description: Y2AgPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Y2AgPb ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to one Ag and one Pb atom. The Y–Ag bond length is 2.99 Å. The Y–Pb bond length is 2.85 Å. Ag is bonded in a linear geometry to two equivalent Y atoms. Pb is bonded in a linear geometry to two equivalent Y atoms.
DOI: 10.17188/1746328
title: Materials Data on Ho2CrSbO7 by Materials Project

description: Ho2CrSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.49 Å. In the second Ho3+ site, Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.25–2.50 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with two equivalent CrO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 51–55°. All Cr–O bond lengths are 2.04 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are four shorter (1.99 Å) and two longer (2.02 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ho3+ atoms to form OHo4 tetrahedra that share corners with sixteen OHo4 tetrahedra and edges with six OHo2Cr2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Cr3+ atoms to form a mixture of distorted corner and edge-sharing OHo2Cr2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Sb5+ atoms to form a mixture of distorted corner and edge-sharing OHo2Sb2 tetrahedra. In the fourth O2- site, O2- is bonded to two Ho3+, one Cr3+, and one Sb5+ atom to form a mixture of distorted corner and edge-sharing OHo2CrSb tetrahedra.