cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1690474
title: Materials Data on La2SbS5Br by Materials Project

description: La2SbS5Br crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 10-coordinate geometry to seven S2- and three equivalent Br1- atoms. There are a spread of La–S bond distances ranging from 2.99–3.15 Å. There are one shorter (3.33 Å) and two longer (3.36 Å) La–Br bond lengths. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to eight S2- and one Br1- atom. There are a spread of La–S bond distances ranging from 3.00–3.08 Å. The La–Br bond length is 3.15 Å. Sb5+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.41–2.77 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three La3+ and one S2- atom to form distorted SLa3S tetrahedra that share corners with four equivalent SLa3S tetrahedra, a cornercorner with one SLa3Sb2 trigonal bipyramid, corners with five equivalent SLa3Sb trigonal pyramids, edges with two equivalent SLa3Sb2 trigonal bipyramids, and a faceface with one SLa3S tetrahedra. The S–S bond length is 2.08 Å. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent La3+, one Sb5+, and one Br1- atom. The S–Br bond length is 3.23 Å. In the third S2- site, S2- is bonded to three La3+ and two equivalent Sb5+ atoms to form distorted SLa3Sb2 trigonal bipyramids that share corners with two equivalent SLa3S tetrahedra, corners with four equivalent SLa3Sb2 trigonal bipyramids, corners with three equivalent SLa3Sb trigonal pyramids, edges with four equivalent SLa3S tetrahedra, and edges with two equivalent SLa3Sb trigonal pyramids. In the fourth S2- site, S2- is bonded to three La3+ and one Sb5+ atom to form distorted SLa3Sb trigonal pyramids that share corners with ten equivalent SLa3S tetrahedra, corners with three equivalent SLa3Sb2 trigonal bipyramids, corners with two equivalent SLa3Sb trigonal pyramids, and edges with two equivalent SLa3Sb2 trigonal bipyramids. Br1- is bonded in a 4-coordinate geometry to four La3+ and one S2- atom.
DOI: 10.17188/1690475
title: Materials Data on Li3Mn10O20 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: 10.17188/1690476
title: Materials Data on TbAgSn by Materials Project

description: TbAgSn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded in a 3-coordinate geometry to two equivalent Tb, three equivalent Ag, and six equivalent Sn atoms. Both Tb–Tb bond lengths are 3.29 Å. All Tb–Ag bond lengths are 2.96 Å. All Tb–Sn bond lengths are 3.39 Å. Ag is bonded in a trigonal planar geometry to three equivalent Tb and six equivalent Sn atoms. All Ag–Sn bond lengths are 3.39 Å. Sn is bonded in a 6-coordinate geometry to six equivalent Tb, six equivalent Ag, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.29 Å.
DOI: 10.17188/1690477
title: Materials Data on ZrHgAu2 by Materials Project

description: ZrAu2Hg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ZrAu2Hg ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to two equivalent Au atoms. Both Zr–Au bond lengths are 2.64 Å. Au is bonded in a linear geometry to one Zr and one Hg atom. The Au–Hg bond length is 2.96 Å. Hg is bonded in a linear geometry to two equivalent Au atoms.
DOI: 10.17188/1690478
title: Materials Data on Cr7FeO12 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: 10.17188/1690479
title: Materials Data on Eu2HgO4 by Materials Project

description: Eu2HgO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing EuO7 pentagonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.31–2.50 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing EuO7 hexagonal pyramids. There are a spread of Eu–O bond distances ranging from 2.32–2.55 Å. Hg2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.88 Å) Hg–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu3+ and one Hg2+ atom to form distorted OEu3Hg tetrahedra that share corners with three equivalent OEu4Hg2 octahedra, corners with eight OEu3Hg tetrahedra, edges with three equivalent OEu4Hg2 octahedra, and edges with two equivalent OEu4 tetrahedra. The corner-sharing octahedra tilt angles range from 12–56°. In the second O2- site, O2- is bonded to four Eu3+ atoms to form OEu4 tetrahedra that share corners with four equivalent OEu4Hg2 octahedra, corners with eight OEu3Hg tetrahedra, edges with two equivalent OEu4Hg2 octahedra, and edges with four OEu3Hg tetrahedra. The corner-sharing octahedra tilt angles range from 33–61°. In the third O2- site, O2- is bonded to three equivalent Eu3+ and one Hg2+ atom to form distorted OEu3Hg tetrahedra that share a cornercorner with one OEu4Hg2 octahedra, corners with ten OEu3Hg tetrahedra, edges with two equivalent OEu4Hg2 octahedra, and edges with three OEu3Hg tetrahedra. The corner-sharing octahedral tilt angles are 31°. In the fourth O2- site, O2- is bonded to four Eu3+ and two equivalent Hg2+ atoms to form distorted OEu4Hg2 octahedra that share corners with eight OEu3Hg tetrahedra, edges with four equivalent OEu4Hg2 octahedra, and edges with seven OEu3Hg tetrahedra.
DOI: 10.17188/1690480
title: Materials Data on Li2NiP2O7 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: 10.17188/1690481
title: Materials Data on Nd3Ni2Sn7 by Materials Project

description: Nd3Ni2Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to two equivalent Ni and twelve Sn atoms. Both Nd–Ni bond lengths are 3.53 Å. There are a spread of Nd–Sn bond distances ranging from 3.29–3.40 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to four equivalent Ni and ten Sn atoms. All Nd–Ni bond lengths are 3.64 Å. There are a spread of Nd–Sn bond distances ranging from 3.42–3.52 Å. Ni is bonded in a 5-coordinate geometry to five Nd and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.49–2.58 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a square co-planar geometry to four equivalent Nd atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four Nd and two equivalent Ni atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four Nd and two equivalent Ni atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.89 Å.
DOI: 10.17188/1690482
title: Materials Data on Cr4BiNO14 by Materials Project

description: (Cr4BiO14)2N2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonia molecules and one Cr4BiO14 sheet oriented in the (0, 0, 1) direction. In the Cr4BiO14 sheet, there are four inequivalent Cr5+ sites. In the first Cr5+ site, Cr5+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.59–1.77 Å. In the second Cr5+ site, Cr5+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.60–1.77 Å. In the third Cr5+ site, Cr5+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.60–1.77 Å. In the fourth Cr5+ site, Cr5+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.60–1.77 Å. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.33–2.56 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Cr5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Cr5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two Cr5+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and one Bi3+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Cr5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and one Bi3+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cr5+ and one Bi3+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and one Bi3+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one Cr5+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and one Bi3+ atom.
DOI: 10.17188/1690483
title: Materials Data on MgGa2 by Materials Project

description: MgGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to eight Ga atoms to form a mixture of distorted edge, face, and corner-sharing MgGa8 cuboctahedra. There are a spread of Mg–Ga bond distances ranging from 2.91–3.06 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Mg and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.82–3.11 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg and four equivalent Ga atoms.
DOI: 10.17188/1690484
title: Materials Data on Np2Re3Si5 by Materials Project

description: Np2Re3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Np+3.50+ is bonded in a 9-coordinate geometry to nine Si4- atoms. There are a spread of Np–Si bond distances ranging from 2.89–3.22 Å. There are two inequivalent Re+4.33+ sites. In the first Re+4.33+ site, Re+4.33+ is bonded to six Si4- atoms to form a mixture of distorted edge, face, and corner-sharing ReSi6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Re–Si bond distances ranging from 2.46–2.54 Å. In the second Re+4.33+ site, Re+4.33+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.48 Å) and two longer (2.72 Å) Re–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Np+3.50+, four Re+4.33+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.61 Å. In the second Si4- site, Si4- is bonded in a 11-coordinate geometry to four equivalent Np+3.50+, three Re+4.33+, and four Si4- atoms. Both Si–Si bond lengths are 2.75 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Np+3.50+, four equivalent Re+4.33+, and one Si4- atom. The Si–Si bond length is 2.53 Å.
DOI: 10.17188/1690485
title: Materials Data on Mn4Nb2O9 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: 10.17188/1690486
title: Materials Data on GaAs3 by Materials Project

description: GaAs3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ga3+ is bonded in a body-centered cubic geometry to eight equivalent As1- atoms. All Ga–As bond lengths are 2.91 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a body-centered cubic geometry to four equivalent Ga3+ and four equivalent As1- atoms. All As–As bond lengths are 2.91 Å. In the second As1- site, As1- is bonded in a body-centered cubic geometry to eight equivalent As1- atoms.
DOI: 10.17188/1690487
title: Materials Data on CsCoF4 by Materials Project

description: CsCoF4 crystallizes in the tetragonal I-4c2 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (3.18 Å) and four longer (3.20 Å) Cs–F bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 2.91–3.47 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There is two shorter (1.83 Å) and four longer (1.94 Å) Co–F bond length. In the second Co3+ site, Co3+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedra tilt angles range from 3–38°. There are a spread of Co–F bond distances ranging from 1.82–2.00 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four Cs1+ and one Co3+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two Co3+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent Co3+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Co3+ atom. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Co3+ atoms. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to four Cs1+ and one Co3+ atom.
DOI: 10.17188/1690488
title: Materials Data on Y(AlCu)6 by Materials Project

description: Y(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.21 Å) and eight longer (3.31 Å) Y–Cu bond lengths. There are a spread of Y–Al bond distances ranging from 2.97–3.10 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Y, four Cu, and six Al atoms. There are two shorter (2.52 Å) and two longer (2.54 Å) Cu–Cu bond lengths. There are a spread of Cu–Al bond distances ranging from 2.53–2.65 Å. In the second Cu site, Cu is bonded to two equivalent Y, four equivalent Cu, and six Al atoms to form a mixture of distorted edge, face, and corner-sharing CuY2Al6Cu4 cuboctahedra. There are a spread of Cu–Al bond distances ranging from 2.64–2.74 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Y, six Cu, and three Al atoms. There are one shorter (2.62 Å) and two longer (2.84 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Y, six Cu, and three Al atoms. There are one shorter (2.64 Å) and two longer (2.90 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y, six Cu, and four Al atoms.
DOI: 10.17188/1690489
title: Materials Data on Co2As2O7 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: 10.17188/1690490
title: Materials Data on CsYb(WO4)2 by Materials Project

description: CsYb(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 2.97–3.12 Å. Yb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.43 Å. W6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of W–O bond distances ranging from 1.83–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Yb3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+, one Yb3+, and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Yb3+, and one W6+ atom.
DOI: 10.17188/1690491
title: Materials Data on U3TiSn5 by Materials Project

description: U3TiSn5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of U–Sn bond distances ranging from 3.15–3.25 Å. Ti is bonded to six equivalent Sn atoms to form distorted face-sharing TiSn6 octahedra. All Ti–Sn bond lengths are 2.84 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to five equivalent U and two equivalent Ti atoms to form a mixture of distorted face, edge, and corner-sharing SnU5Ti2 pentagonal bipyramids. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent U and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.03 Å.
DOI: 10.17188/1690492
title: Materials Data on CdTe by Materials Project

description: CdTe crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Cd2+ is bonded in a distorted square co-planar geometry to four equivalent Te2- atoms. All Cd–Te bond lengths are 3.10 Å. Te2- is bonded in a 4-coordinate geometry to four equivalent Cd2+ atoms.
DOI: 10.17188/1690493
title: Materials Data on CaPPt by Materials Project

description: CaPtP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ca is bonded to six equivalent Pt and six equivalent P atoms to form a mixture of edge and face-sharing CaP6Pt6 cuboctahedra. All Ca–Pt bond lengths are 3.16 Å. All Ca–P bond lengths are 3.16 Å. Pt is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent P atoms. All Pt–P bond lengths are 2.35 Å. P is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Pt atoms.
DOI: 10.17188/1690494
title: Materials Data on BaO4 by Materials Project

description: BaO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Ba–O bond distances ranging from 2.65–3.24 Å. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Ba and one O atom to form a mixture of distorted edge and corner-sharing OBa3O trigonal pyramids. The O–O bond length is 1.38 Å. In the second O site, O is bonded in a 4-coordinate geometry to three equivalent Ba and one O atom. The O–O bond length is 1.32 Å. In the third O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Ba and one O atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to three equivalent Ba and one O atom.
DOI: 10.17188/1690496
title: Materials Data on TaVH4 by Materials Project

description: TaVH4 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to eight H atoms. There is six shorter (1.93 Å) and two longer (1.97 Å) Ta–H bond length. V is bonded in a body-centered cubic geometry to eight H atoms. There is two shorter (1.81 Å) and six longer (1.88 Å) V–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Ta and one V atom to form a mixture of edge and corner-sharing HTa3V tetrahedra. In the second H site, H is bonded to one Ta and three equivalent V atoms to form a mixture of edge and corner-sharing HTaV3 tetrahedra.
DOI: 10.17188/1690498
title: Materials Data on BRu3 by Materials Project

description: Ru3B is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru is bonded to eight equivalent Ru and four equivalent B atoms to form distorted RuB4Ru8 cuboctahedra that share corners with four equivalent BRu12 cuboctahedra, corners with fourteen equivalent RuB4Ru8 cuboctahedra, edges with six equivalent BRu12 cuboctahedra, edges with twelve equivalent RuB4Ru8 cuboctahedra, faces with four equivalent BRu12 cuboctahedra, and faces with sixteen equivalent RuB4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.53–2.79 Å. There are two shorter (2.50 Å) and two longer (2.66 Å) Ru–B bond lengths. B is bonded to twelve equivalent Ru atoms to form BRu12 cuboctahedra that share corners with six equivalent BRu12 cuboctahedra, corners with twelve equivalent RuB4Ru8 cuboctahedra, edges with eighteen equivalent RuB4Ru8 cuboctahedra, faces with eight equivalent BRu12 cuboctahedra, and faces with twelve equivalent RuB4Ru8 cuboctahedra.
DOI: 10.17188/1690499
title: Materials Data on Y(GaCo)6 by Materials Project

description: Y(CoGa)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to twelve Co and eight Ga atoms. There are four shorter (3.19 Å) and eight longer (3.23 Å) Y–Co bond lengths. There are a spread of Y–Ga bond distances ranging from 2.80–3.00 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Y, four Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoY2Ga6Co4 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.52 Å) Co–Co bond lengths. There are a spread of Co–Ga bond distances ranging from 2.46–2.61 Å. In the second Co site, Co is bonded to two equivalent Y, four equivalent Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoY2Ga6Co4 cuboctahedra. There are a spread of Co–Ga bond distances ranging from 2.52–2.66 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Y, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.86 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to one Y, six Co, and one Ga atom. The Ga–Ga bond length is 2.61 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to one Y, six Co, and three Ga atoms. The Ga–Ga bond length is 2.66 Å.