cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1725433
title: Materials Data on Tb2ReB6 by Materials Project

description: Tb2ReB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 4-coordinate geometry to fourteen B2- atoms. There are a spread of Tb–B bond distances ranging from 2.76–2.83 Å. In the second Tb3+ site, Tb3+ is bonded to twelve B2- atoms to form a mixture of edge and face-sharing TbB12 cuboctahedra. There are a spread of Tb–B bond distances ranging from 2.61–2.65 Å. Re6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Re–B bond distances ranging from 2.36–2.42 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to six Tb3+ and three B2- atoms. There are a spread of B–B bond distances ranging from 1.85–2.02 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Tb3+, two equivalent Re6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.80–1.85 Å. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Re6+, and three B2- atoms. The B–B bond length is 1.82 Å. In the fourth B2- site, B2- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Re6+, and three B2- atoms. There is one shorter (1.74 Å) and one longer (1.87 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Re6+, and three B2- atoms. The B–B bond length is 1.80 Å. In the sixth B2- site, B2- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Re6+, and three B2- atoms.
DOI: 10.17188/1725434
title: Materials Data on Nb4Cu(CS2)2 by Materials Project

description: Nb4Cu(CS2)2 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one Nb4Cu(CS2)2 sheet oriented in the (0, 0, 1) direction. there are four inequivalent Nb+3.75+ sites. In the first Nb+3.75+ site, Nb+3.75+ is bonded to three equivalent C4- and three equivalent S2- atoms to form a mixture of corner and edge-sharing NbC3S3 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nb–C bond lengths are 2.23 Å. All Nb–S bond lengths are 2.61 Å. In the second Nb+3.75+ site, Nb+3.75+ is bonded to three equivalent C4- and three equivalent S2- atoms to form a mixture of corner and edge-sharing NbC3S3 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nb–C bond lengths are 2.26 Å. All Nb–S bond lengths are 2.52 Å. In the third Nb+3.75+ site, Nb+3.75+ is bonded to three equivalent C4- and three equivalent S2- atoms to form a mixture of corner and edge-sharing NbC3S3 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nb–C bond lengths are 2.25 Å. All Nb–S bond lengths are 2.54 Å. In the fourth Nb+3.75+ site, Nb+3.75+ is bonded to three equivalent C4- and three equivalent S2- atoms to form a mixture of corner and edge-sharing NbC3S3 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nb–C bond lengths are 2.26 Å. All Nb–S bond lengths are 2.51 Å. Cu1+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are one shorter (2.18 Å) and three longer (2.31 Å) Cu–S bond lengths. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to six Nb+3.75+ atoms to form edge-sharing CNb6 octahedra. In the second C4- site, C4- is bonded to six Nb+3.75+ atoms to form edge-sharing CNb6 octahedra. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Nb+3.75+ and one Cu1+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb+3.75+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Nb+3.75+ and three equivalent Cu1+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb+3.75+ atoms.
DOI: 10.17188/1725435
title: Materials Data on Rb2TlAuI6 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: 10.17188/1725437
title: Materials Data on LiV2NiO6 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: 10.17188/1725438
title: Materials Data on MgScWS4 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: 10.17188/1725439
title: Materials Data on Mn2Pb3N4 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: 10.17188/1725440
title: Materials Data on La3Ni by Materials Project

description: La3Ni is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two La3Ni sheets oriented in the (0, 0, 1) direction. there are two inequivalent La sites. In the first La site, La is bonded in a distorted L-shaped geometry to two equivalent Ni atoms. There are one shorter (2.85 Å) and one longer (2.95 Å) La–Ni bond lengths. In the second La site, La is bonded in a bent 150 degrees geometry to two equivalent Ni atoms. There are one shorter (2.86 Å) and one longer (3.02 Å) La–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six La atoms.
DOI: 10.17188/1725441
title: Materials Data on K2HgBiBr6 by Materials Project

description: K2HgBiBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form distorted KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent HgBr6 octahedra, and faces with four equivalent BiBr6 octahedra. All K–Br bond lengths are 4.12 Å. Hg1+ is bonded to six equivalent Br1- atoms to form HgBr6 octahedra that share corners with six equivalent BiBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Br bond lengths are 2.95 Å. Bi3+ is bonded to six equivalent Br1- atoms to form BiBr6 octahedra that share corners with six equivalent HgBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Br bond lengths are 2.87 Å. Br1- is bonded in a linear geometry to four equivalent K1+, one Hg1+, and one Bi3+ atom.
DOI: 10.17188/1725442
title: Materials Data on UMn(OF2)3 by Materials Project

description: UMn(OF2)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a 7-coordinate geometry to one O2- and six F1- atoms. The U–O bond length is 1.81 Å. There are a spread of U–F bond distances ranging from 2.04–2.32 Å. In the second U5+ site, U5+ is bonded in a 7-coordinate geometry to one O2- and six F1- atoms. The U–O bond length is 1.81 Å. There are a spread of U–F bond distances ranging from 2.04–2.32 Å. Mn7+ is bonded in an octahedral geometry to two O2- and four F1- atoms. There is one shorter (1.68 Å) and one longer (1.69 Å) Mn–O bond length. There is two shorter (1.93 Å) and two longer (1.95 Å) Mn–F bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one U5+ and one Mn7+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one U5+ and one Mn7+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one U5+ and one Mn7+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one U5+ and one Mn7+ atom.
DOI: 10.17188/1725443
title: Materials Data on Li8Mn7Fe(BO3)8 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: 10.17188/1725444
title: Materials Data on YbAsPt by Materials Project

description: YbPtAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of face and edge-sharing YbAs6Pt6 cuboctahedra. All Yb–Pt bond lengths are 3.13 Å. All Yb–As bond lengths are 3.20 Å. In the second Yb3+ site, Yb3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of face and edge-sharing YbAs6Pt6 cuboctahedra. All Yb–Pt bond lengths are 3.19 Å. All Yb–As bond lengths are 3.12 Å. Pt2- is bonded in a 9-coordinate geometry to six Yb3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.49 Å. As1- is bonded in a 9-coordinate geometry to six Yb3+ and three equivalent Pt2- atoms.
DOI: 10.17188/1725445
title: Materials Data on U2CuTe6 by Materials Project

description: U2CuTe6 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.25 Å. In the second U5+ site, U5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.23 Å. Cu2+ is bonded to four Te2- atoms to form corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.59–2.64 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four U5+ atoms to form a mixture of distorted corner and edge-sharing TeU4 trigonal pyramids. In the second Te2- site, Te2- is bonded to four U5+ atoms to form a mixture of distorted corner and edge-sharing TeU4 trigonal pyramids. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U5+ and one Cu2+ atom. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U5+ and two equivalent Cu2+ atoms. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U5+ and one Cu2+ atom. In the sixth Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U5+ atoms.
DOI: 10.17188/1725446
title: Materials Data on TiMn2O4 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: 10.17188/1725447
title: Materials Data on RbMg6Sb by Materials Project

description: RbMg6Sb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Sb atoms to form RbMg10Sb2 cuboctahedra that share corners with four equivalent SbRb2Mg10 cuboctahedra, corners with six equivalent RbMg10Sb2 cuboctahedra, corners with eight equivalent MgRb2Mg8Sb2 cuboctahedra, edges with two equivalent SbRb2Mg10 cuboctahedra, edges with four equivalent MgRb2Mg8Sb2 cuboctahedra, faces with two equivalent RbMg10Sb2 cuboctahedra, faces with two equivalent SbRb2Mg10 cuboctahedra, and faces with four equivalent MgRb2Mg8Sb2 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.37–3.49 Å. Both Rb–Sb bond lengths are 3.38 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Rb, eight Mg, and two equivalent Sb atoms to form distorted MgRb2Mg8Sb2 cuboctahedra that share corners with four equivalent RbMg10Sb2 cuboctahedra, corners with four equivalent SbRb2Mg10 cuboctahedra, corners with ten equivalent MgRb2Mg8Sb2 cuboctahedra, edges with two equivalent RbMg10Sb2 cuboctahedra, edges with two equivalent MgRb2Mg8Sb2 cuboctahedra, edges with two equivalent SbRb2Mg10 cuboctahedra, faces with two equivalent RbMg10Sb2 cuboctahedra, faces with two equivalent SbRb2Mg10 cuboctahedra, and faces with four equivalent MgRb2Mg8Sb2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.26–3.42 Å. There are one shorter (3.41 Å) and one longer (3.53 Å) Mg–Sb bond lengths. In the second Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, three Mg, and two equivalent Sb atoms. The Mg–Mg bond length is 3.26 Å. Both Mg–Sb bond lengths are 3.26 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and eight Mg atoms. Both Mg–Mg bond lengths are 3.39 Å. In the fourth Mg site, Mg is bonded in a distorted water-like geometry to six Mg and two equivalent Sb atoms. Both Mg–Sb bond lengths are 3.38 Å. Sb is bonded to two equivalent Rb and ten Mg atoms to form distorted SbRb2Mg10 cuboctahedra that share corners with four equivalent RbMg10Sb2 cuboctahedra, corners with six equivalent SbRb2Mg10 cuboctahedra, corners with eight equivalent MgRb2Mg8Sb2 cuboctahedra, edges with two equivalent RbMg10Sb2 cuboctahedra, edges with four equivalent MgRb2Mg8Sb2 cuboctahedra, faces with two equivalent RbMg10Sb2 cuboctahedra, faces with two equivalent SbRb2Mg10 cuboctahedra, and faces with four equivalent MgRb2Mg8Sb2 cuboctahedra.
DOI: 10.17188/1725448
title: Materials Data on CdBrO by Materials Project

description: CdOBr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd is bonded in a 6-coordinate geometry to three equivalent O and three equivalent Br atoms. There are a spread of Cd–O bond distances ranging from 2.21–2.30 Å. There are two shorter (2.92 Å) and one longer (3.02 Å) Cd–Br bond lengths. O is bonded to three equivalent Cd and one Br atom to form a mixture of distorted corner and edge-sharing OCd3Br tetrahedra. The O–Br bond length is 2.51 Å. Br is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cd and one O atom.
DOI: 10.17188/1725449
title: Materials Data on BaFeO3 by Materials Project

description: BaFeO3 is (Cubic) Perovskite-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to twelve O atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight FeO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.86–2.89 Å. In the second Ba site, Ba is bonded to twelve O atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent FeO6 octahedra, faces with seven BaO12 cuboctahedra, and faces with seven FeO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of Ba–O bond distances ranging from 2.86–2.92 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 3–4°. There is four shorter (1.96 Å) and two longer (1.98 Å) Fe–O bond length. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent FeO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one FeO6 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. There are a spread of Fe–O bond distances ranging from 1.95–2.03 Å. There are four inequivalent O sites. In the first O site, O is bonded to four Ba and two equivalent Fe atoms to form a mixture of distorted face and corner-sharing OBa4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 6–60°. In the second O site, O is bonded to four Ba and two equivalent Fe atoms to form a mixture of distorted face and corner-sharing OBa4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 7–60°. In the third O site, O is bonded in a distorted linear geometry to four Ba and two Fe atoms. In the fourth O site, O is bonded in a distorted linear geometry to four Ba and two Fe atoms.
DOI: 10.17188/1725450
title: Materials Data on Li3Mn3TeO8 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: 10.17188/1725451
title: Materials Data on CaCdPt by Materials Project

description: CaPtCd crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Ca–Pt bond distances ranging from 3.07–3.12 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent Cd atoms. There are a spread of Pt–Cd bond distances ranging from 2.78–2.87 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Pt atoms.
DOI: 10.17188/1725452
title: Materials Data on Hf3Fe2Si3 by Materials Project

description: Hf3Fe2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 2-coordinate geometry to four equivalent Fe and six Si atoms. There are a spread of Hf–Fe bond distances ranging from 2.81–2.98 Å. There are a spread of Hf–Si bond distances ranging from 2.74–2.84 Å. In the second Hf site, Hf is bonded in a 5-coordinate geometry to four equivalent Fe and five Si atoms. All Hf–Fe bond lengths are 3.01 Å. There are a spread of Hf–Si bond distances ranging from 2.68–2.98 Å. Fe is bonded in a 10-coordinate geometry to six Hf and four Si atoms. There are a spread of Fe–Si bond distances ranging from 2.26–2.46 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five Hf, three equivalent Fe, and one Si atom. The Si–Si bond length is 2.47 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Hf and two equivalent Fe atoms.
DOI: 10.17188/1725454
title: Materials Data on CePtRh by Materials Project

description: CeRhPt is Cubic Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Rh and six equivalent Pt atoms. There are four shorter (3.17 Å) and two longer (3.18 Å) Ce–Rh bond lengths. There are two shorter (3.19 Å) and four longer (3.20 Å) Ce–Pt bond lengths. Rh is bonded to six equivalent Ce, two equivalent Rh, and four equivalent Pt atoms to form RhCe6Pt4Rh2 cuboctahedra that share corners with eight equivalent PtCe6Pt2Rh4 cuboctahedra, corners with ten equivalent RhCe6Pt4Rh2 cuboctahedra, edges with six equivalent RhCe6Pt4Rh2 cuboctahedra, faces with six equivalent RhCe6Pt4Rh2 cuboctahedra, and faces with twelve equivalent PtCe6Pt2Rh4 cuboctahedra. Both Rh–Rh bond lengths are 2.74 Å. All Rh–Pt bond lengths are 2.72 Å. Pt is bonded to six equivalent Ce, four equivalent Rh, and two equivalent Pt atoms to form PtCe6Pt2Rh4 cuboctahedra that share corners with eight equivalent RhCe6Pt4Rh2 cuboctahedra, corners with ten equivalent PtCe6Pt2Rh4 cuboctahedra, edges with six equivalent PtCe6Pt2Rh4 cuboctahedra, faces with six equivalent PtCe6Pt2Rh4 cuboctahedra, and faces with twelve equivalent RhCe6Pt4Rh2 cuboctahedra. Both Pt–Pt bond lengths are 2.69 Å.
DOI: 10.17188/1725455
title: Materials Data on Dy4Ir by Materials Project

description: Dy4Ir is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Dy4Ir clusters. Dy is bonded in a single-bond geometry to one Ir atom. The Dy–Ir bond length is 2.60 Å. Ir is bonded in a tetrahedral geometry to four equivalent Dy atoms.
DOI: 10.17188/1725456
title: Materials Data on TbGa2Co3 by Materials Project

description: TbCo3Ga2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to twelve Co and six Ga atoms. There are a spread of Tb–Co bond distances ranging from 2.88–3.24 Å. All Tb–Ga bond lengths are 3.15 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to six Co and twelve Ga atoms. All Tb–Co bond lengths are 3.02 Å. There are eight shorter (3.33 Å) and four longer (3.34 Å) Tb–Ga bond lengths. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three Tb, two equivalent Co, and four equivalent Ga atoms. Both Co–Co bond lengths are 2.44 Å. All Co–Ga bond lengths are 2.52 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three Tb, two equivalent Co, and four Ga atoms. Both Co–Co bond lengths are 2.44 Å. All Co–Ga bond lengths are 2.52 Å. In the third Co site, Co is bonded to four equivalent Tb, four equivalent Co, and four Ga atoms to form distorted CoTb4Ga4Co4 cuboctahedra that share corners with eight CoTb4Ga4Co4 cuboctahedra, corners with eight equivalent GaTb4Ga2Co6 cuboctahedra, edges with ten GaTb4Ga2Co6 cuboctahedra, faces with four GaTb4Ga2Co6 cuboctahedra, and faces with six CoTb4Ga4Co4 cuboctahedra. There are two shorter (2.48 Å) and two longer (2.49 Å) Co–Ga bond lengths. In the fourth Co site, Co is bonded to four equivalent Tb, four equivalent Co, and four equivalent Ga atoms to form distorted CoTb4Ga4Co4 cuboctahedra that share corners with eight equivalent CoTb4Ga4Co4 cuboctahedra, corners with eight equivalent GaTb4Ga2Co6 cuboctahedra, edges with ten GaTb4Ga2Co6 cuboctahedra, faces with four equivalent GaTb4Ga2Co6 cuboctahedra, and faces with six CoTb4Ga4Co4 cuboctahedra. All Co–Ga bond lengths are 2.48 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four Tb, six Co, and two Ga atoms to form distorted GaTb4Ga2Co6 cuboctahedra that share corners with four equivalent CoTb4Ga4Co4 cuboctahedra, corners with twelve GaTb4Ga2Co6 cuboctahedra, edges with five CoTb4Ga4Co4 cuboctahedra, edges with five GaTb4Ga2Co6 cuboctahedra, faces with two CoTb4Ga4Co4 cuboctahedra, and faces with eight GaTb4Ga2Co6 cuboctahedra. There are one shorter (2.65 Å) and one longer (2.66 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four Tb, six Co, and two equivalent Ga atoms to form distorted GaTb4Ga2Co6 cuboctahedra that share corners with four equivalent CoTb4Ga4Co4 cuboctahedra, corners with twelve GaTb4Ga2Co6 cuboctahedra, edges with five CoTb4Ga4Co4 cuboctahedra, edges with five GaTb4Ga2Co6 cuboctahedra, faces with two equivalent CoTb4Ga4Co4 cuboctahedra, and faces with eight GaTb4Ga2Co6 cuboctahedra.