cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1280440
title: Materials Data on BaBiO3 by Materials Project

description: BaBiO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ba–O bond distances ranging from 2.60–2.93 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ba–O bond distances ranging from 2.65–2.92 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 2-coordinate geometry to three O atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.66 Å. In the second Bi site, Bi is bonded in an L-shaped geometry to three O atoms. There are a spread of Bi–O bond distances ranging from 2.09–2.89 Å. There are six inequivalent O sites. In the first O site, O is bonded to three Ba and one Bi atom to form OBa3Bi tetrahedra that share corners with two equivalent OBa3Bi tetrahedra, corners with three equivalent OBa3BiO trigonal bipyramids, a cornercorner with one OBa2BiO trigonal pyramid, an edgeedge with one OBa3BiO trigonal bipyramid, and an edgeedge with one OBa2BiO trigonal pyramid. In the second O site, O is bonded in a 5-coordinate geometry to three Ba, one Bi, and one O atom. The O–O bond length is 1.48 Å. In the third O site, O is bonded in a 3-coordinate geometry to one Ba, one Bi, and one O atom. The O–O bond length is 1.48 Å. In the fourth O site, O is bonded to two Ba, one Bi, and one O atom to form OBa2BiO trigonal pyramids that share a cornercorner with one OBa3Bi tetrahedra, corners with two equivalent OBa3BiO trigonal bipyramids, an edgeedge with one OBa3Bi tetrahedra, and an edgeedge with one OBa3BiO trigonal bipyramid. In the fifth O site, O is bonded to three Ba, one Bi, and one O atom to form distorted OBa3BiO trigonal bipyramids that share corners with three equivalent OBa3Bi tetrahedra, corners with two equivalent OBa3BiO trigonal bipyramids, corners with two equivalent OBa2BiO trigonal pyramids, an edgeedge with one OBa3Bi tetrahedra, and an edgeedge with one OBa2BiO trigonal pyramid. In the sixth O site, O is bonded in a 3-coordinate geometry to two Ba and one Bi atom.
DOI: 10.17188/1280441
title: Materials Data on HCN by Materials Project

description: CNH is Cyanogen Chloride-like structured and crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of two hydrogen cyanide molecules. C2+ is bonded in a linear geometry to one N3- and one H1+ atom. The C–N bond length is 1.16 Å. The C–H bond length is 1.09 Å. N3- is bonded in a single-bond geometry to one C2+ atom. H1+ is bonded in a single-bond geometry to one C2+ atom.
DOI: 10.17188/1280442
title: Materials Data on Li2H2Pd by Materials Project

description: Li2PdH2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Pd and five equivalent H atoms. All Li–Pd bond lengths are 2.68 Å. There are one shorter (1.96 Å) and four longer (2.21 Å) Li–H bond lengths. Pd is bonded in a 2-coordinate geometry to eight equivalent Li and two equivalent H atoms. Both Pd–H bond lengths are 1.69 Å. H is bonded to five equivalent Li and one Pd atom to form a mixture of distorted edge and corner-sharing HLi5Pd octahedra. The corner-sharing octahedra tilt angles range from 0–9°.
DOI: 10.17188/1280443
title: Materials Data on LiAlPHO5 by Materials Project

description: LiAl(PO4)(OH) crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.00–2.15 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with two equivalent AlO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Al–O bond distances ranging from 1.92–1.94 Å. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with two equivalent AlO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Al–O bond distances ranging from 1.87–1.94 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four AlO6 octahedra. The corner-sharing octahedra tilt angles range from 33–52°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Al3+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Al3+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one Al3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+, two Al3+, and one H1+ atom.
DOI: 10.17188/1280444
title: Materials Data on CaH2CClO3 by Materials Project

description: CaCH2O3Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Ca–O bond distances ranging from 2.44–2.57 Å. There are one shorter (2.84 Å) and one longer (2.85 Å) Ca–Cl bond lengths. C3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ca2+ and one C3+ atom. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Ca2+ and two equivalent H1+ atoms. Cl1- is bonded in a distorted L-shaped geometry to two equivalent Ca2+ atoms.
DOI: 10.17188/1280445
title: Materials Data on LiHS by Materials Project

description: LiSH crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Li1+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.49–2.51 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.35 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Li1+ and one H1+ atom to form a mixture of distorted corner and edge-sharing SLi4H square pyramids. In the second S2- site, S2- is bonded to four equivalent Li1+ and one H1+ atom to form a mixture of distorted corner and edge-sharing SLi4H square pyramids.
DOI: 10.17188/1280446
title: Materials Data on Sr2CoO3 by Materials Project

description: Sr2CoO3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Sr2CoO3 sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded to five O2- atoms to form SrO5 square pyramids that share corners with five equivalent SrO5 square pyramids, edges with four equivalent CoO6 octahedra, and edges with four equivalent SrO5 square pyramids. There are a spread of Sr–O bond distances ranging from 2.26–2.52 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent CoO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with eight equivalent SrO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Co–O bond distances ranging from 2.06–2.52 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and four equivalent Co2+ atoms to form OSr2Co4 octahedra that share corners with four equivalent OSr2Co4 octahedra, edges with four equivalent OSr2Co4 octahedra, and edges with eight equivalent OSr4Co square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and one Co2+ atom to form OSr4Co square pyramids that share corners with five equivalent OSr4Co square pyramids, edges with four equivalent OSr2Co4 octahedra, and edges with four equivalent OSr4Co square pyramids.
DOI: 10.17188/1280447
title: Materials Data on Cd2P3Cl by Materials Project

description: Cd2P3Cl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cd2+ is bonded in a 4-coordinate geometry to three P1- and two equivalent Cl1- atoms. There are a spread of Cd–P bond distances ranging from 2.57–2.67 Å. There are one shorter (2.72 Å) and one longer (3.43 Å) Cd–Cl bond lengths. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to two equivalent Cd2+ and two P1- atoms to form distorted corner-sharing PCd2P2 trigonal pyramids. There are one shorter (2.20 Å) and one longer (2.21 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two equivalent Cd2+ and two equivalent P1- atoms to form distorted corner-sharing PCd2P2 tetrahedra. Cl1- is bonded in a distorted L-shaped geometry to four equivalent Cd2+ atoms.
DOI: 10.17188/1280448
title: Materials Data on SnH2N2O3F2 by Materials Project

description: NH2SnNO3F2 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four ammonia molecules and two SnNO3F2 clusters. In each SnNO3F2 cluster, Sn4+ is bonded in a 4-coordinate geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.46 Å. There are a spread of Sn–F bond distances ranging from 2.00–2.23 Å. N1+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.33 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one N1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Sn4+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sn4+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Sn4+ atoms.
DOI: 10.17188/1280449
title: Materials Data on CaP(HO3)2 by Materials Project

description: CaP(HO3)2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.82 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (0.99 Å) and one longer (1.71 Å) H–O bond length. In the second H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ca and one P atom. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Ca and one P atom. In the third O site, O is bonded in a 1-coordinate geometry to one Ca, one P, and two H atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Ca and one P atom. In the fifth O site, O is bonded in a distorted water-like geometry to one Ca and two H atoms. In the sixth O site, O is bonded in a single-bond geometry to one Ca atom.
DOI: 10.17188/1280450
title: Materials Data on Rb4CdCl6 by Materials Project

description: Rb4CdCl6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.22–3.67 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.18–3.91 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are two shorter (3.12 Å) and four longer (3.47 Å) Rb–Cl bond lengths. Cd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.50 Å) and two longer (2.63 Å) Cd–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Cd2+ atom. In the second Cl1- site, Cl1- is bonded to four Rb1+ atoms to form a mixture of distorted edge and corner-sharing ClRb4 trigonal pyramids. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and one Cd2+ atom.
DOI: 10.17188/1280451
title: Materials Data on ScO by Materials Project

description: ScO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.24 Å. O2- is bonded to six equivalent Sc2+ atoms to form a mixture of edge and corner-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1280452
title: Materials Data on Ti3SnH by Materials Project

description: Ti3SnH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Sn and two equivalent H atoms. All Ti–Sn bond lengths are 2.95 Å. Both Ti–H bond lengths are 2.09 Å. Sn is bonded to twelve equivalent Ti atoms to form SnTi12 cuboctahedra that share corners with twelve equivalent SnTi12 cuboctahedra, faces with six equivalent SnTi12 cuboctahedra, and faces with eight equivalent HTi6 octahedra. H is bonded to six equivalent Ti atoms to form HTi6 octahedra that share corners with six equivalent HTi6 octahedra and faces with eight equivalent SnTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1280453
title: Materials Data on KAlH4 by Materials Project

description: KAlH4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent H1- atoms. There are four shorter (2.71 Å) and four longer (2.78 Å) K–H bond lengths. Al3+ is bonded in a tetrahedral geometry to four equivalent H1- atoms. All Al–H bond lengths are 1.63 Å. H1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Al3+ atom.
DOI: 10.17188/1280454
title: Materials Data on LuNbO4 by Materials Project

description: LuNbO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.28–2.39 Å. Nb5+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.88–2.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Nb5+ atom.
DOI: 10.17188/1280455
title: Materials Data on Rb2H4Pd by Materials Project

description: Rb2PdH4 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are four shorter (3.01 Å) and four longer (3.03 Å) Rb–H bond lengths. Pd2+ is bonded in a square co-planar geometry to four H1- atoms. There is two shorter (1.66 Å) and two longer (1.67 Å) Pd–H bond length. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Rb1+ and one Pd2+ atom to form a mixture of face, edge, and corner-sharing HRb4Pd square pyramids. In the second H1- site, H1- is bonded to four equivalent Rb1+ and one Pd2+ atom to form a mixture of face, edge, and corner-sharing HRb4Pd square pyramids.
DOI: 10.17188/1280456
title: Materials Data on BaTiO3 by Materials Project

description: BaTiO3 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two BaTiO3 sheets oriented in the (0, 1, 0) direction. Ba2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.56 Å) and four longer (3.07 Å) Ba–O bond lengths. Ti4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.75 Å) and one longer (1.82 Å) Ti–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Ti4+ atom.
DOI: 10.17188/1280457
title: Materials Data on CeCoGeH by Materials Project

description: CeCoGeH crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to four equivalent Ge and four equivalent H atoms. All Ce–Ge bond lengths are 3.05 Å. All Ce–H bond lengths are 2.39 Å. Co is bonded in a 4-coordinate geometry to four equivalent Ge atoms. All Co–Ge bond lengths are 2.37 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Co atoms. H is bonded to four equivalent Ce atoms to form a mixture of corner and edge-sharing HCe4 tetrahedra.
DOI: 10.17188/1280459
title: Materials Data on NdMg2Ag by Materials Project

description: Mg2NdAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Ag atoms. All Mg–Nd bond lengths are 3.11 Å. All Mg–Ag bond lengths are 3.11 Å. Nd is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Ag atoms. All Nd–Ag bond lengths are 3.60 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Nd atoms.
DOI: 10.17188/1280460
title: Materials Data on NaAlH2CO5 by Materials Project

description: NaAl(OH)2CO3 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share edges with two equivalent NaO6 octahedra and edges with four equivalent AlO6 octahedra. There are two shorter (2.39 Å) and four longer (2.51 Å) Na–O bond lengths. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share edges with two equivalent AlO6 octahedra and edges with four equivalent NaO6 octahedra. There is four shorter (1.90 Å) and two longer (1.95 Å) Al–O bond length. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.32 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Al3+, and one C4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Al3+, and one H1+ atom.
DOI: 10.17188/1280461
title: Materials Data on MnO2 by Materials Project

description: MnO2 is Rutile-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There is four shorter (1.93 Å) and two longer (1.94 Å) Mn–O bond length. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Mn–O bond distances ranging from 1.92–1.95 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn4+ atoms.
DOI: 10.17188/1280462
title: Materials Data on LiY2Ti2S2O5 by Materials Project

description: LiY2Ti2S2O5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.98 Å) and two longer (2.08 Å) Li–O bond lengths. Y3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four O2- atoms. There are four shorter (2.90 Å) and one longer (2.91 Å) Y–S bond lengths. There are two shorter (2.42 Å) and two longer (2.51 Å) Y–O bond lengths. Ti+3.50+ is bonded to one S2- and five O2- atoms to form distorted corner-sharing TiSO5 trigonal bipyramids. The Ti–S bond length is 2.67 Å. There are a spread of Ti–O bond distances ranging from 1.90–1.99 Å. S2- is bonded in a 6-coordinate geometry to five equivalent Y3+ and one Ti+3.50+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti+3.50+ atoms. In the second O2- site, O2- is bonded to one Li1+, two equivalent Y3+, and two equivalent Ti+3.50+ atoms to form distorted corner-sharing OLiY2Ti2 trigonal bipyramids. In the third O2- site, O2- is bonded in a square co-planar geometry to two equivalent Li1+ and two equivalent Ti+3.50+ atoms.
DOI: 10.17188/1280463
title: Materials Data on TbGa2Co3 by Materials Project

description: TbCo3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to twelve Co and six equivalent Ga atoms. There are six shorter (3.02 Å) and six longer (3.22 Å) Tb–Co bond lengths. All Tb–Ga bond lengths are 3.08 Å. In the second Tb site, Tb is bonded in a hexagonal planar geometry to six equivalent Co and twelve equivalent Ga atoms. All Tb–Co bond lengths are 2.85 Å. All Tb–Ga bond lengths are 3.42 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three Tb, two equivalent Co, and four equivalent Ga atoms. Both Co–Co bond lengths are 2.48 Å. All Co–Ga bond lengths are 2.42 Å. In the second Co site, Co is bonded to four equivalent Tb, four equivalent Co, and four equivalent Ga atoms to form a mixture of face and corner-sharing CoTb4Ga4Co4 cuboctahedra. All Co–Ga bond lengths are 2.53 Å. Ga is bonded in a 12-coordinate geometry to four Tb, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.84 Å.