cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1204648
title: Materials Data on TlAsSe2 by Materials Project

description: TlAsSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.14–3.77 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.16–3.57 Å. In the third Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.22–3.67 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.12–3.78 Å. There are four inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a see-saw-like geometry to four Se2- atoms. There are a spread of As–Se bond distances ranging from 2.42–2.81 Å. In the second As3+ site, As3+ is bonded in a distorted see-saw-like geometry to four Se2- atoms. There are a spread of As–Se bond distances ranging from 2.41–3.18 Å. In the third As3+ site, As3+ is bonded in a see-saw-like geometry to four Se2- atoms. There are a spread of As–Se bond distances ranging from 2.39–3.00 Å. In the fourth As3+ site, As3+ is bonded in a 3-coordinate geometry to four Se2- atoms. There are a spread of As–Se bond distances ranging from 2.40–3.25 Å. There are eight inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tl1+ and two As3+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to four Tl1+ and two As3+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tl1+ and two As3+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tl1+ and two equivalent As3+ atoms. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tl1+ and two As3+ atoms. In the sixth Se2- site, Se2- is bonded in a 6-coordinate geometry to four Tl1+ and two As3+ atoms. In the seventh Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tl1+ and two As3+ atoms. In the eighth Se2- site, Se2- is bonded in a 6-coordinate geometry to four Tl1+ and two equivalent As3+ atoms.
DOI: 10.17188/1204649
title: Materials Data on Ba(CO)4 by Materials Project

description: Ba(CO)4 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of two Ba(CO)4 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.81 Å. C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one C+1.50+ atom.
DOI: 10.17188/1204650
title: Materials Data on Sr3(BS3)2 by Materials Project

description: Sr3(BS3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.04–3.21 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.11–3.22 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of B–S bond distances ranging from 1.82–1.84 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to four Sr2+ and one B3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four Sr2+ and one B3+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four Sr2+ and one B3+ atom.
DOI: 10.17188/1204651
title: Materials Data on Mg5(HO3)2 by Materials Project

description: Mg5(HO3)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg5(HO3)2 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.06 Å) and three longer (2.15 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.14 Å. In the third Mg2+ site, Mg2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.14 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom.
DOI: 10.17188/1204652
title: Materials Data on Mg4H2O5 by Materials Project

description: Mg4H2O5 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg4H2O5 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.15 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.06 Å) and three longer (2.15 Å) Mg–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. In the third O2- site, O2- is bonded to six equivalent Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1204653
title: Materials Data on Mg3(HO2)2 by Materials Project

description: Mg3(HO2)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two Mg3(HO2)2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.15 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.07 Å) and three longer (2.16 Å) Mg–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. All O–Mg bond lengths are 2.07 Å. In the second O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. The O–H bond length is 0.97 Å. In the fourth O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mg bond lengths are 2.16 Å.
DOI: 10.17188/1204654
title: Materials Data on Mg2H2O3 by Materials Project

description: Mg(OH)2MgO crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg(OH)2MgO sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.08 Å) and three longer (2.17 Å) Mg–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. In the second O2- site, O2- is bonded to six equivalent Mg2+ atoms to form edge-sharing OMg6 octahedra.
DOI: 10.17188/1204655
title: Materials Data on Mg3H4O5 by Materials Project

description: Mg(OH)2MgOMg(OH)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg(OH)2 sheet oriented in the (0, 0, 1) direction and one Mg(OH)2MgO sheet oriented in the (0, 0, 1) direction. In the Mg(OH)2 sheet, Mg2+ is bonded to six equivalent O2- atoms to form edge-sharing MgO6 octahedra. All Mg–O bond lengths are 2.09 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. In the Mg(OH)2MgO sheet, Mg2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.09 Å) and three longer (2.18 Å) Mg–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. In the second O2- site, O2- is bonded to six equivalent Mg2+ atoms to form edge-sharing OMg6 octahedra.
DOI: 10.17188/1204656
title: Materials Data on Mg(HO)2 by Materials Project

description: Mg(OH)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg(OH)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to six equivalent O2- atoms to form edge-sharing MgO6 octahedra. All Mg–O bond lengths are 2.11 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom.
DOI: 10.17188/1204657
title: Materials Data on LiMoS2 by Materials Project

description: LiMoS2 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with twelve MoS6 octahedra, edges with six LiS6 octahedra, and faces with two equivalent MoS6 octahedra. The corner-sharing octahedra tilt angles range from 38–55°. There are a spread of Li–S bond distances ranging from 2.53–2.65 Å. In the second Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with twelve MoS6 octahedra, edges with six LiS6 octahedra, and faces with two equivalent MoS6 octahedra. The corner-sharing octahedra tilt angles range from 34–60°. There are a spread of Li–S bond distances ranging from 2.53–2.64 Å. There are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to six S2- atoms to form MoS6 octahedra that share corners with twelve LiS6 octahedra, edges with six MoS6 octahedra, and faces with two equivalent LiS6 octahedra. The corner-sharing octahedra tilt angles range from 36–56°. There are a spread of Mo–S bond distances ranging from 2.39–2.59 Å. In the second Mo3+ site, Mo3+ is bonded to six S2- atoms to form distorted MoS6 octahedra that share corners with twelve LiS6 octahedra, edges with six MoS6 octahedra, and faces with two equivalent LiS6 octahedra. The corner-sharing octahedra tilt angles range from 34–60°. There are a spread of Mo–S bond distances ranging from 2.37–2.62 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three Li1+ and three Mo3+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three Li1+ and three Mo3+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to three Li1+ and three Mo3+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to three Li1+ and three Mo3+ atoms.
DOI: 10.17188/1204658
title: Materials Data on Li4GeS4 by Materials Project

description: Li4GeS4 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with two equivalent LiS6 octahedra, corners with two equivalent GeS4 tetrahedra, corners with eight equivalent LiS4 trigonal pyramids, edges with two equivalent LiS6 octahedra, and an edgeedge with one GeS4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Li–S bond distances ranging from 2.47–2.50 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form distorted LiS4 trigonal pyramids that share corners with three equivalent LiS6 octahedra, corners with four equivalent LiS4 tetrahedra, corners with four equivalent GeS4 tetrahedra, corners with four equivalent LiS4 trigonal pyramids, and a faceface with one LiS6 octahedra. The corner-sharing octahedra tilt angles range from 18–53°. There are a spread of Li–S bond distances ranging from 2.42–2.55 Å. In the third Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent LiS4 tetrahedra, corners with two equivalent GeS4 tetrahedra, corners with six equivalent LiS4 trigonal pyramids, edges with two equivalent LiS6 octahedra, edges with two equivalent LiS4 tetrahedra, edges with two equivalent GeS4 tetrahedra, and faces with two equivalent LiS4 trigonal pyramids. There are a spread of Li–S bond distances ranging from 2.58–2.92 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two equivalent LiS6 octahedra, corners with two equivalent LiS4 tetrahedra, corners with eight equivalent LiS4 trigonal pyramids, edges with two equivalent LiS6 octahedra, and an edgeedge with one LiS4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are three shorter (2.23 Å) and one longer (2.27 Å) Ge–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Li1+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to five Li1+ and one Ge4+ atom. In the third S2- site, S2- is bonded to four Li1+ and one Ge4+ atom to form distorted corner-sharing SLi4Ge trigonal bipyramids.
DOI: 10.17188/1204659
title: Materials Data on YAgO2 by Materials Project

description: YAgO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form edge-sharing YO6 octahedra. All Y–O bond lengths are 2.30 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.09 Å. O2- is bonded to three equivalent Y3+ and one Ag1+ atom to form a mixture of edge and corner-sharing OY3Ag tetrahedra.
DOI: 10.17188/1204660
title: Materials Data on YAuO2 by Materials Project

description: YAuO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form distorted edge-sharing YO6 octahedra. All Y–O bond lengths are 2.30 Å. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. O2- is bonded to three equivalent Y3+ and one Au1+ atom to form a mixture of edge and corner-sharing OY3Au tetrahedra.
DOI: 10.17188/1204661
title: Materials Data on Na10CaSn12 by Materials Project

description: Na10CaSn12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Sn atoms to form corner-sharing NaSn4 tetrahedra. All Na–Sn bond lengths are 3.24 Å. In the second Na site, Na is bonded in a 9-coordinate geometry to nine equivalent Sn atoms. There are three shorter (3.46 Å) and six longer (3.55 Å) Na–Sn bond lengths. Ca is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms. All Ca–Sn bond lengths are 3.48 Å. Sn is bonded in a 9-coordinate geometry to five Na, one Ca, and three equivalent Sn atoms. There are one shorter (2.92 Å) and two longer (3.01 Å) Sn–Sn bond lengths.
DOI: 10.17188/1204662
title: Materials Data on Na10SrSn12 by Materials Project

description: Na10SrSn12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Sn atoms to form corner-sharing NaSn4 tetrahedra. All Na–Sn bond lengths are 3.25 Å. In the second Na site, Na is bonded in a 9-coordinate geometry to nine equivalent Sn atoms. There are three shorter (3.45 Å) and six longer (3.58 Å) Na–Sn bond lengths. Sr is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms. All Sr–Sn bond lengths are 3.51 Å. Sn is bonded in a 9-coordinate geometry to five Na, one Sr, and three equivalent Sn atoms. There are one shorter (2.95 Å) and two longer (3.03 Å) Sn–Sn bond lengths.
DOI: 10.17188/1204663
title: Materials Data on Ba3(LiSn2)4 by Materials Project

description: Ba3Li4Sn8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 5-coordinate geometry to two equivalent Ba and five Sn atoms. Both Li–Ba bond lengths are 3.71 Å. There are a spread of Li–Sn bond distances ranging from 2.91–2.99 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to four Sn atoms. There are two shorter (2.80 Å) and two longer (2.88 Å) Li–Sn bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 1-coordinate geometry to two equivalent Li and ten Sn atoms. There are a spread of Ba–Sn bond distances ranging from 3.58–3.88 Å. In the second Ba site, Ba is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ba–Sn bond distances ranging from 3.63–3.77 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Li and four Ba atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to three Li and four Ba atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Li and three Ba atoms.
DOI: 10.17188/1204664
title: Materials Data on Zr8Ni21 by Materials Project

description: Zr8Ni21 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to thirteen Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.64–3.09 Å. In the second Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.60–2.80 Å. In the third Zr site, Zr is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.65–2.90 Å. In the fourth Zr site, Zr is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.61–2.87 Å. There are eleven inequivalent Ni sites. In the first Ni site, Ni is bonded to four Zr and eight Ni atoms to form face-sharing NiZr4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.42–2.59 Å. In the second Ni site, Ni is bonded to five Zr and seven Ni atoms to form distorted NiZr5Ni7 cuboctahedra that share a cornercorner with one NiZr5Ni7 cuboctahedra, an edgeedge with one NiZr5Ni7 cuboctahedra, and faces with four NiZr4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.43–2.58 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to five Zr and four Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.66–2.87 Å. In the fourth Ni site, Ni is bonded in a 4-coordinate geometry to four Zr and six Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.39–2.70 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to five Zr and seven Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.47–2.74 Å. In the sixth Ni site, Ni is bonded to five Zr and seven Ni atoms to form distorted NiZr5Ni7 cuboctahedra that share a cornercorner with one NiZr5Ni7 cuboctahedra, an edgeedge with one NiZr5Ni7 cuboctahedra, and faces with four NiZr4Ni8 cuboctahedra. There are three shorter (2.49 Å) and one longer (2.54 Å) Ni–Ni bond lengths. In the seventh Ni site, Ni is bonded in a 12-coordinate geometry to four Zr and eight Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.54–2.88 Å. In the eighth Ni site, Ni is bonded in a 12-coordinate geometry to five Zr and seven Ni atoms. There are one shorter (2.43 Å) and one longer (2.74 Å) Ni–Ni bond lengths. In the ninth Ni site, Ni is bonded in a 3-coordinate geometry to four Zr and six Ni atoms. In the tenth Ni site, Ni is bonded in a 12-coordinate geometry to four Zr and eight Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.46–2.84 Å. In the eleventh Ni site, Ni is bonded in a 12-coordinate geometry to four Zr and eight Ni atoms.
DOI: 10.17188/1204665
title: Materials Data on CeGa4Os by Materials Project

description: CeOsGa4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 10-coordinate geometry to twelve Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.05–3.51 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to four equivalent Os and twelve Ga atoms. All Ce–Os bond lengths are 3.48 Å. There are a spread of Ce–Ga bond distances ranging from 2.99–3.45 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Os–Ga bond distances ranging from 2.59–2.67 Å. In the second Os site, Os is bonded in a 8-coordinate geometry to two equivalent Ce and eight Ga atoms. There are a spread of Os–Ga bond distances ranging from 2.58–2.70 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded to six Ce and six Ga atoms to form face-sharing GaCe6Ga6 cuboctahedra. There are two shorter (2.78 Å) and four longer (2.80 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, two equivalent Os, and six Ga atoms. There are four shorter (2.70 Å) and two longer (2.86 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, three Os, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–2.81 Å. In the fourth Ga site, Ga is bonded in a 5-coordinate geometry to four Ce, two equivalent Os, and one Ga atom. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to three Ce, two Os, and four Ga atoms. The Ga–Ga bond length is 2.77 Å. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to two Ce, two equivalent Os, and six Ga atoms. The Ga–Ga bond length is 2.80 Å.