cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1740175
title: Materials Data on ZnS 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: 10.17188/1740176
title: Materials Data on Cr2SiC by Materials Project

description: Cr2SiC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr3+ is bonded in a 6-coordinate geometry to three equivalent Si4- and three equivalent C2- atoms. All Cr–Si bond lengths are 2.53 Å. All Cr–C bond lengths are 1.97 Å. Si4- is bonded in a 12-coordinate geometry to six equivalent Cr3+ atoms. C2- is bonded to six equivalent Cr3+ atoms to form edge-sharing CCr6 octahedra.
DOI: 10.17188/1740177
title: Materials Data on Y6Mg(SiS7)2 by Materials Project

description: MgY6Si2S14 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Mg2+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.57 Å) and three longer (2.59 Å) Mg–S bond lengths. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.77–3.08 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.77–3.00 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.10 Å) and three longer (2.14 Å) Si–S bond lengths. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.11 Å) and three longer (2.14 Å) Si–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent Y3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent Y3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+ and four Y3+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+ and four Y3+ atoms. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three Y3+ and one Si4+ atom. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three Y3+ and one Si4+ atom.
DOI: 10.17188/1740178
title: Materials Data on Mn4FeGe3 by Materials Project

description: Mn4FeGe3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 8-coordinate geometry to two equivalent Fe and six Ge atoms. Both Mn–Fe bond lengths are 2.47 Å. All Mn–Ge bond lengths are 2.53 Å. In the second Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.45–2.69 Å. In the third Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.45–2.70 Å. Fe is bonded in a 8-coordinate geometry to two equivalent Mn and six Ge atoms. All Fe–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Mn and two equivalent Fe atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Mn and two equivalent Fe atoms.
DOI: 10.17188/1740179
title: Materials Data on ZrSiMo by Materials Project

description: MoSiZr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent MoSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent MoSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.76–2.93 Å. Mo2+ is bonded to four equivalent Si4- atoms to form distorted MoSi4 tetrahedra that share corners with eight equivalent MoSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent MoSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Mo–Si bond distances ranging from 2.53–2.69 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Mo2+ atoms.
DOI: 10.17188/1740180
title: Materials Data on Yb(BiS2)2 by Materials Project

description: Yb(BiS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded to seven S2- atoms to form distorted YbS7 pentagonal bipyramids that share corners with four equivalent BiS6 octahedra, corners with four equivalent BiS7 pentagonal bipyramids, edges with three equivalent BiS6 octahedra, edges with three equivalent BiS7 pentagonal bipyramids, a faceface with one BiS7 pentagonal bipyramid, and faces with two equivalent YbS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 5–71°. There are a spread of Yb–S bond distances ranging from 2.90–3.03 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six S2- atoms to form BiS6 octahedra that share corners with three equivalent BiS7 pentagonal bipyramids, corners with four equivalent YbS7 pentagonal bipyramids, edges with four equivalent BiS6 octahedra, edges with two equivalent BiS7 pentagonal bipyramids, and edges with three equivalent YbS7 pentagonal bipyramids. There are a spread of Bi–S bond distances ranging from 2.68–3.08 Å. In the second Bi3+ site, Bi3+ is bonded to seven S2- atoms to form distorted BiS7 pentagonal bipyramids that share corners with three equivalent BiS6 octahedra, corners with four equivalent YbS7 pentagonal bipyramids, edges with two equivalent BiS6 octahedra, edges with three equivalent YbS7 pentagonal bipyramids, edges with four equivalent BiS7 pentagonal bipyramids, and a faceface with one YbS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 9–49°. There are a spread of Bi–S bond distances ranging from 2.81–3.14 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Yb2+ and four Bi3+ atoms to form distorted SYb2Bi4 octahedra that share corners with four equivalent SYb2Bi3 square pyramids, corners with three equivalent SYbBi3 trigonal pyramids, edges with four equivalent SYb2Bi4 octahedra, edges with three equivalent SYbBi3 trigonal pyramids, and a faceface with one SYb2Bi3 square pyramid. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Yb2+ and three Bi3+ atoms. In the third S2- site, S2- is bonded to two equivalent Yb2+ and three equivalent Bi3+ atoms to form distorted SYb2Bi3 square pyramids that share corners with four equivalent SYb2Bi4 octahedra, corners with five equivalent SYbBi3 trigonal pyramids, edges with four equivalent SYb2Bi3 square pyramids, and a faceface with one SYb2Bi4 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. In the fourth S2- site, S2- is bonded to one Yb2+ and three Bi3+ atoms to form distorted SYbBi3 trigonal pyramids that share corners with three equivalent SYb2Bi4 octahedra, corners with five equivalent SYb2Bi3 square pyramids, corners with two equivalent SYbBi3 trigonal pyramids, and edges with three equivalent SYb2Bi4 octahedra. The corner-sharing octahedra tilt angles range from 5–36°.
DOI: 10.17188/1740181
title: Materials Data on V3ZnO8 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: 10.17188/1740182
title: Materials Data on Nd2Nb2S7O30 by Materials Project

description: Nd2Nb2S7O30 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.52 Å. Nb is bonded to six O atoms to form NbO6 octahedra that share corners with five SO4 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.78–2.19 Å. There are three inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 17°. There is two shorter (1.47 Å) and two longer (1.49 Å) S–O bond length. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of S–O bond distances ranging from 1.45–1.51 Å. In the third S site, S is bonded to four O atoms to form SO4 tetrahedra that share a cornercorner with one NbO6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are a spread of S–O bond distances ranging from 1.46–1.54 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one Nd and one S atom. In the second O site, O is bonded in a single-bond geometry to one S atom. In the third O site, O is bonded in a distorted linear geometry to one Nd and one S atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one S atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Nb and one S atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Nb and one S atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one S atom. In the eighth O site, O is bonded in a distorted linear geometry to one Nd and one Nb atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one S atom. In the tenth O site, O is bonded in a distorted linear geometry to one Nb and one S atom.
DOI: 10.17188/1740183
title: Materials Data on Zn4As3NO13 by Materials Project

description: (Zn4As3O13)2N2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional and consists of eight ammonia molecules and one Zn4As3O13 framework. In the Zn4As3O13 framework, there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share a cornercorner with one ZnO4 tetrahedra and corners with four equivalent AsO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.92–2.02 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with three equivalent ZnO4 tetrahedra and corners with three equivalent AsO4 tetrahedra. There is one shorter (1.93 Å) and three longer (2.00 Å) Zn–O bond length. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with five ZnO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.70–1.76 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one As5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Zn2+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one As5+ atom.
DOI: 10.17188/1740184
title: Materials Data on Sn(Mo2O3)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: 10.17188/1740186
title: Materials Data on Th(NF2)4 by Materials Project

description: ThF4N2(NF2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four difluoroamine molecules; two nitrogen molecules; and one ThF4 ribbon oriented in the (1, 0, 0) direction. In the ThF4 ribbon, Th4+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Th–F bond distances ranging from 2.10–2.44 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Th4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Th4+ atom. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Th4+ atoms.
DOI: 10.17188/1740187
title: Materials Data on SrEu4Se5 by Materials Project

description: SrEu4Se5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded to six Se2- atoms to form SrSe6 octahedra that share corners with six EuSe6 octahedra, edges with two equivalent SrSe6 octahedra, and edges with ten EuSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Sr–Se bond lengths are 3.11 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six Se2- atoms to form EuSe6 octahedra that share a cornercorner with one SrSe6 octahedra, corners with five EuSe6 octahedra, edges with two equivalent SrSe6 octahedra, and edges with ten EuSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are one shorter (3.08 Å) and five longer (3.10 Å) Eu–Se bond lengths. In the second Eu2+ site, Eu2+ is bonded to six Se2- atoms to form EuSe6 octahedra that share corners with two equivalent SrSe6 octahedra, corners with four EuSe6 octahedra, edges with three equivalent SrSe6 octahedra, and edges with nine EuSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (3.08 Å) and four longer (3.10 Å) Eu–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to one Sr2+ and five Eu2+ atoms to form a mixture of edge and corner-sharing SeSrEu5 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Se2- site, Se2- is bonded to two equivalent Sr2+ and four Eu2+ atoms to form a mixture of edge and corner-sharing SeSr2Eu4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third Se2- site, Se2- is bonded to six Eu2+ atoms to form a mixture of edge and corner-sharing SeEu6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1740189
title: Materials Data on LiMg by Materials Project

description: LiMg crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li is bonded to nine equivalent Li and three equivalent Mg atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with six equivalent LiLi9Mg3 cuboctahedra, corners with twelve equivalent MgLi3Mg9 cuboctahedra, edges with six equivalent MgLi3Mg9 cuboctahedra, edges with twelve equivalent LiLi9Mg3 cuboctahedra, faces with eight equivalent MgLi3Mg9 cuboctahedra, and faces with twelve equivalent LiLi9Mg3 cuboctahedra. There are three shorter (3.11 Å) and six longer (3.14 Å) Li–Li bond lengths. All Li–Mg bond lengths are 3.10 Å. Mg is bonded to three equivalent Li and nine equivalent Mg atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent MgLi3Mg9 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with six equivalent LiLi9Mg3 cuboctahedra, edges with twelve equivalent MgLi3Mg9 cuboctahedra, faces with eight equivalent LiLi9Mg3 cuboctahedra, and faces with twelve equivalent MgLi3Mg9 cuboctahedra. There are six shorter (3.14 Å) and three longer (3.18 Å) Mg–Mg bond lengths.
DOI: 10.17188/1740190
title: Materials Data on Hf2TcPd by Materials Project

description: Hf2TcPd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2TcPd ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Tc and one Pd atom. The Hf–Tc bond length is 2.26 Å. The Hf–Pd bond length is 2.55 Å. Tc is bonded in a linear geometry to two equivalent Hf atoms. Pd is bonded in a linear geometry to two equivalent Hf atoms.
DOI: 10.17188/1740192
title: Materials Data on K3SmN6 by Materials Project

description: K3SmN6 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six N1- atoms. There are four shorter (2.76 Å) and two longer (3.35 Å) K–N bond lengths. In the second K1+ site, K1+ is bonded to six N1- atoms to form distorted KN6 octahedra that share corners with two equivalent SmN6 octahedra, edges with two equivalent SmN6 octahedra, and edges with three equivalent KN6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of K–N bond distances ranging from 2.79–3.08 Å. Sm3+ is bonded to six N1- atoms to form SmN6 octahedra that share corners with four equivalent KN6 octahedra and edges with four equivalent KN6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are four shorter (2.35 Å) and two longer (2.38 Å) Sm–N bond lengths. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted see-saw-like geometry to three K1+ and one Sm3+ atom. In the second N1- site, N1- is bonded in a distorted see-saw-like geometry to three K1+ and one Sm3+ atom.
DOI: 10.17188/1740193
title: Materials Data on Sr2CaSn5 by Materials Project

description: Sr2CaSn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.41–3.68 Å. Ca is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ca–Sn bond distances ranging from 3.28–3.72 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent Sr, two equivalent Ca, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.06–3.37 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Sr, two equivalent Ca, and three Sn atoms. The Sn–Sn bond length is 3.06 Å. In the third Sn site, Sn is bonded in a 5-coordinate geometry to four equivalent Sr, one Ca, and four Sn atoms.
DOI: 10.17188/1740194
title: Materials Data on Y(PPd)2 by Materials Project

description: YPd2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent P atoms. All Y–Pd bond lengths are 3.22 Å. All Y–P bond lengths are 3.10 Å. Pd is bonded to four equivalent Y, four equivalent Pd, and four equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing PdY4P4Pd4 cuboctahedra. All Pd–Pd bond lengths are 2.90 Å. All Pd–P bond lengths are 2.47 Å. P is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Pd, and one P atom. The P–P bond length is 2.21 Å.
DOI: 10.17188/1740195
title: Materials Data on LiFeSiO4 by Materials Project

description: LiFeSiO4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four FeO4 tetrahedra and corners with four SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.01–2.09 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent FeO4 tetrahedra, corners with four SiO4 tetrahedra, and an edgeedge with one FeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.02–2.10 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four LiO4 tetrahedra and corners with four SiO4 tetrahedra. There is three shorter (1.90 Å) and one longer (1.91 Å) Fe–O bond length. In the second Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four SiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There is two shorter (1.90 Å) and two longer (1.91 Å) Fe–O bond length. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four LiO4 tetrahedra and corners with four FeO4 tetrahedra. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four LiO4 tetrahedra and corners with four FeO4 tetrahedra. All Si–O bond lengths are 1.65 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Fe3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Fe3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Fe3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Fe3+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Li1+, one Fe3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Fe3+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Fe3+, and one Si4+ atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Fe3+, and one Si4+ atom.
DOI: 10.17188/1740196
title: Materials Data on Yb2(Ga3Co)3 by Materials Project

description: Yb2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Yb–Ga bond distances ranging from 2.95–3.05 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.52–2.54 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.49–2.55 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Yb, three Co, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.71–2.80 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, three Co, and five Ga atoms. There are one shorter (2.67 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, two equivalent Co, and six Ga atoms. Both Ga–Ga bond lengths are 2.76 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, two equivalent Co, and six Ga atoms. The Ga–Ga bond length is 2.76 Å.