cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1746529
title: Materials Data on EuHg2Bi by Materials Project

description: EuHg2Bi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a distorted body-centered cubic geometry to eight equivalent Hg and six equivalent Bi atoms. All Eu–Hg bond lengths are 3.37 Å. All Eu–Bi bond lengths are 3.89 Å. Hg is bonded in a distorted body-centered cubic geometry to four equivalent Eu and four equivalent Bi atoms. All Hg–Bi bond lengths are 3.37 Å. Bi is bonded in a 8-coordinate geometry to six equivalent Eu and eight equivalent Hg atoms.
DOI: 10.17188/1746530
title: Materials Data on CsMnSe2 by Materials Project

description: CsMnSe2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Cs–Se bond lengths are 3.74 Å. Mn3+ is bonded to four equivalent Se2- atoms to form corner-sharing MnSe4 tetrahedra. All Mn–Se bond lengths are 2.44 Å. Se2- is bonded in a distorted bent 120 degrees geometry to four equivalent Cs1+ and two equivalent Mn3+ atoms.
DOI: 10.17188/1746531
title: Materials Data on BaHfMg6 by Materials Project

description: BaMg6Hf crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ba is bonded to twelve Mg atoms to form BaMg12 cuboctahedra that share corners with four equivalent BaMg12 cuboctahedra, corners with eight equivalent HfMg12 cuboctahedra, edges with eight equivalent MgBa2Hf2Mg8 cuboctahedra, faces with two equivalent BaMg12 cuboctahedra, faces with four equivalent MgBa2Hf2Mg8 cuboctahedra, and faces with four equivalent HfMg12 cuboctahedra. There are a spread of Ba–Mg bond distances ranging from 3.35–3.57 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Ba, eight Mg, and two equivalent Hf atoms to form distorted MgBa2Hf2Mg8 cuboctahedra that share corners with twelve equivalent MgBa2Hf2Mg8 cuboctahedra, edges with four equivalent BaMg12 cuboctahedra, edges with four equivalent HfMg12 cuboctahedra, faces with two equivalent BaMg12 cuboctahedra, faces with two equivalent HfMg12 cuboctahedra, and faces with six equivalent MgBa2Hf2Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.34–3.39 Å. There are one shorter (3.34 Å) and one longer (3.36 Å) Mg–Hf bond lengths. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Ba, six Mg, and two equivalent Hf atoms. There are one shorter (2.97 Å) and one longer (2.98 Å) Mg–Mg bond lengths. Both Mg–Hf bond lengths are 3.16 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Ba, six Mg, and two equivalent Hf atoms. Both Mg–Hf bond lengths are 3.19 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Ba, six Mg, and two equivalent Hf atoms. Both Mg–Hf bond lengths are 3.20 Å. Hf is bonded to twelve Mg atoms to form HfMg12 cuboctahedra that share corners with four equivalent HfMg12 cuboctahedra, corners with eight equivalent BaMg12 cuboctahedra, edges with eight equivalent MgBa2Hf2Mg8 cuboctahedra, faces with two equivalent HfMg12 cuboctahedra, faces with four equivalent BaMg12 cuboctahedra, and faces with four equivalent MgBa2Hf2Mg8 cuboctahedra.
DOI: 10.17188/1746532
title: Materials Data on Rb3Re by Materials Project

description: Rb3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to four equivalent Rb and four equivalent Re atoms to form a mixture of distorted edge, corner, and face-sharing RbRb4Re4 tetrahedra. All Rb–Rb bond lengths are 4.02 Å. All Rb–Re bond lengths are 4.02 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Re is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.
DOI: 10.17188/1746533
title: Materials Data on Li2NiSn3(PO4)6 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: 10.17188/1746534
title: Materials Data on CoN5ClO4 by Materials Project

description: CoN3Cl(NO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of sixteen nitrous acid molecules and eight CoN3Cl clusters. In each CoN3Cl cluster, Co2+ is bonded in a 4-coordinate geometry to three N+1.40+ and one Cl1- atom. There is one shorter (1.58 Å) and two longer (1.92 Å) Co–N bond length. The Co–Cl bond length is 2.23 Å. There are two inequivalent N+1.40+ sites. In the first N+1.40+ site, N+1.40+ is bonded in a single-bond geometry to one Co2+ atom. In the second N+1.40+ site, N+1.40+ is bonded in a distorted single-bond geometry to one Co2+ atom. Cl1- is bonded in a single-bond geometry to one Co2+ atom.
DOI: 10.17188/1746535
title: Materials Data on K by Materials Project

description: K is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent K sites. In the first K site, K is bonded to twelve K atoms to form a mixture of distorted face, edge, and corner-sharing KK12 cuboctahedra. There are six shorter (4.63 Å) and six longer (4.79 Å) K–K bond lengths. In the second K site, K is bonded to twelve K atoms to form a mixture of distorted face, edge, and corner-sharing KK12 cuboctahedra. There are three shorter (4.64 Å) and six longer (4.79 Å) K–K bond lengths. In the third K site, K is bonded to twelve K atoms to form a mixture of distorted face, edge, and corner-sharing KK12 cuboctahedra. There are six shorter (4.63 Å) and six longer (4.79 Å) K–K bond lengths. In the fourth K site, K is bonded to twelve K atoms to form a mixture of distorted face, edge, and corner-sharing KK12 cuboctahedra. There are three shorter (4.64 Å) and six longer (4.79 Å) K–K bond lengths. In the fifth K site, K is bonded to sixteen K atoms to form a mixture of distorted face, edge, and corner-sharing KK16 cuboctahedra. There are a spread of K–K bond distances ranging from 4.79–9.58 Å.
DOI: 10.17188/1746536
title: Materials Data on Mg2Ti by Materials Project

description: Mg2Ti is beta-derived structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four Ti atoms to form MgMg8Ti4 cuboctahedra that share corners with eight TiMg9Ti3 cuboctahedra, corners with ten MgMg8Ti4 cuboctahedra, edges with four equivalent TiMg9Ti3 cuboctahedra, edges with fourteen MgMg8Ti4 cuboctahedra, faces with eight TiMg9Ti3 cuboctahedra, and faces with twelve MgMg8Ti4 cuboctahedra. There are two shorter (3.01 Å) and six longer (3.10 Å) Mg–Mg bond lengths. There are two shorter (3.08 Å) and two longer (3.20 Å) Mg–Ti bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Ti atoms to form distorted MgMg8Ti4 cuboctahedra that share corners with four equivalent TiMg9Ti3 cuboctahedra, corners with fourteen MgMg8Ti4 cuboctahedra, edges with six TiMg9Ti3 cuboctahedra, edges with twelve MgMg8Ti4 cuboctahedra, faces with eight equivalent TiMg9Ti3 cuboctahedra, and faces with twelve MgMg8Ti4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.23 Å. There are a spread of Mg–Ti bond distances ranging from 3.03–3.17 Å. In the third Mg site, Mg is bonded to six Mg and six Ti atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with eight MgMg8Ti4 cuboctahedra, corners with ten TiMg9Ti3 cuboctahedra, edges with four equivalent TiMg9Ti3 cuboctahedra, edges with fourteen MgMg8Ti4 cuboctahedra, faces with six TiMg9Ti3 cuboctahedra, and faces with fourteen MgMg8Ti4 cuboctahedra. There are one shorter (3.08 Å) and one longer (3.23 Å) Mg–Mg bond lengths. There are four shorter (3.04 Å) and two longer (3.05 Å) Mg–Ti bond lengths. In the fourth Mg site, Mg is bonded to eight Mg and four Ti atoms to form distorted MgMg8Ti4 cuboctahedra that share corners with four equivalent TiMg9Ti3 cuboctahedra, corners with fourteen MgMg8Ti4 cuboctahedra, edges with six equivalent TiMg9Ti3 cuboctahedra, edges with twelve MgMg8Ti4 cuboctahedra, faces with eight TiMg9Ti3 cuboctahedra, and faces with twelve MgMg8Ti4 cuboctahedra. Both Mg–Mg bond lengths are 3.03 Å. There are a spread of Mg–Ti bond distances ranging from 3.03–3.17 Å. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded to nine Mg and three Ti atoms to form TiMg9Ti3 cuboctahedra that share corners with five equivalent TiMg9Ti3 cuboctahedra, corners with thirteen MgMg8Ti4 cuboctahedra, edges with eight equivalent TiMg9Ti3 cuboctahedra, edges with ten MgMg8Ti4 cuboctahedra, faces with five TiMg9Ti3 cuboctahedra, and faces with fifteen MgMg8Ti4 cuboctahedra. There are two shorter (3.02 Å) and one longer (3.09 Å) Ti–Ti bond lengths. In the second Ti site, Ti is bonded to nine Mg and three equivalent Ti atoms to form TiMg9Ti3 cuboctahedra that share corners with five equivalent TiMg9Ti3 cuboctahedra, corners with thirteen MgMg8Ti4 cuboctahedra, edges with eight TiMg9Ti3 cuboctahedra, edges with ten MgMg8Ti4 cuboctahedra, faces with five TiMg9Ti3 cuboctahedra, and faces with fifteen MgMg8Ti4 cuboctahedra.
DOI: 10.17188/1746537
title: Materials Data on CoNiP4(H8O5)4 by Materials Project

description: Co(H2O)6Ni(H2O)6(H2PO2)4 crystallizes in the tetragonal I-4c2 space group. The structure is zero-dimensional and consists of sixteen 6303-21-5 molecules, four cobalt hexahydrate molecules, and four nsvfpfuroxfzjs-uhfffaoysa-n molecules.
DOI: 10.17188/1746538
title: Materials Data on CoN3Cl5 by Materials Project

description: CoCl4N2NCl is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four chloramine molecules, and four CoCl4 clusters. In each CoCl4 cluster, Co2+ is bonded in a tetrahedral geometry to four Cl1- atoms. All Co–Cl bond lengths are 2.14 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom.
DOI: 10.17188/1746539
title: Materials Data on LiMn2O4 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: 10.17188/1746540
title: Materials Data on C 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: 10.17188/1746541
title: Materials Data on Y2Pt by Materials Project

description: PtY2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Pt atoms to form a mixture of edge and corner-sharing YPt4 tetrahedra. There are a spread of Y–Pt bond distances ranging from 2.91–2.96 Å. In the second Y site, Y is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are one shorter (2.84 Å) and two longer (3.08 Å) Y–Pt bond lengths. Pt is bonded in a 7-coordinate geometry to seven Y atoms.
DOI: 10.17188/1746542
title: Materials Data on CaCrN2 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: 10.17188/1746543
title: Materials Data on Ca5NiN4 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: 10.17188/1746544
title: Materials Data on YPO4 by Materials Project

description: YPO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Y3+ is bonded to eight equivalent O2- atoms to form distorted YO8 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra, edges with four equivalent YO8 hexagonal bipyramids, and edges with two equivalent PO4 tetrahedra. There are four shorter (2.33 Å) and four longer (2.50 Å) Y–O bond lengths. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent YO8 hexagonal bipyramids and edges with two equivalent YO8 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Y3+ and one P5+ atom.
DOI: 10.17188/1746546
title: Materials Data on Li3MnV(PO4)3 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: 10.17188/1746547
title: Materials Data on Tl4Te3Mo 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: 10.17188/1746548
title: Materials Data on TbClO2 by Materials Project

description: TbO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to six O and three equivalent Cl atoms. There are a spread of Tb–O bond distances ranging from 2.22–2.72 Å. There are two shorter (2.81 Å) and one longer (2.91 Å) Tb–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Tb atoms. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent Tb and two equivalent O atoms. Both O–O bond lengths are 1.90 Å. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Tb atoms.
DOI: 10.17188/1746549
title: Materials Data on La16Mn15O48 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: 10.17188/1746550
title: Materials Data on EuAg3 by Materials Project

description: EuAg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded to twelve equivalent Ag atoms to form a mixture of distorted face and corner-sharing EuAg12 cuboctahedra. There are six shorter (3.28 Å) and six longer (3.39 Å) Eu–Ag bond lengths. Ag is bonded in a 10-coordinate geometry to four equivalent Eu and six equivalent Ag atoms. There are two shorter (2.92 Å) and four longer (2.94 Å) Ag–Ag bond lengths.
DOI: 10.17188/1746551
title: Materials Data on TlC4S4N by Materials Project

description: TlC4NS4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one TlC4NS4 sheet oriented in the (0, 1, 0) direction. Tl1+ is bonded in a 4-coordinate geometry to one C+2.50+ and three S2- atoms. The Tl–C bond length is 2.63 Å. There are a spread of Tl–S bond distances ranging from 3.05–3.20 Å. There are four inequivalent C+2.50+ sites. In the first C+2.50+ site, C+2.50+ is bonded in a distorted bent 150 degrees geometry to two C+2.50+ atoms. There is one shorter (1.32 Å) and one longer (1.37 Å) C–C bond length. In the second C+2.50+ site, C+2.50+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.28 Å. In the third C+2.50+ site, C+2.50+ is bonded in a 3-coordinate geometry to one Tl1+, one C+2.50+, and one S2- atom. The C–S bond length is 1.76 Å. In the fourth C+2.50+ site, C+2.50+ is bonded in a single-bond geometry to one C+2.50+ and one N3- atom. The C–N bond length is 1.47 Å. N3- is bonded in a 2-coordinate geometry to two C+2.50+ and one S2- atom. The N–S bond length is 3.34 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one C+2.50+ and one S2- atom. The S–S bond length is 2.00 Å. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tl1+ and one S2- atom. The S–S bond length is 1.97 Å. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two S2- atoms. The S–S bond length is 2.23 Å. In the fourth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Tl1+ and two S2- atoms.
DOI: 10.17188/1746552
title: Materials Data on Mn6PtRh by Materials Project

description: Mn6RhPt is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded to eight equivalent Mn and four equivalent Pt atoms to form distorted MnMn8Pt4 cuboctahedra that share corners with twelve MnMn8Pt4 cuboctahedra, edges with eight equivalent RhMn12 cuboctahedra, edges with sixteen equivalent MnMn8Pt2Rh2 cuboctahedra, faces with four equivalent PtMn12 cuboctahedra, and faces with fourteen MnMn8Pt4 cuboctahedra. All Mn–Mn bond lengths are 2.57 Å. All Mn–Pt bond lengths are 2.57 Å. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Rh atoms to form distorted MnMn8Rh4 cuboctahedra that share corners with twelve MnMn8Pt4 cuboctahedra, edges with eight equivalent PtMn12 cuboctahedra, edges with sixteen equivalent MnMn8Pt2Rh2 cuboctahedra, faces with four equivalent RhMn12 cuboctahedra, and faces with fourteen MnMn8Pt4 cuboctahedra. All Mn–Mn bond lengths are 2.56 Å. All Mn–Rh bond lengths are 2.57 Å. In the third Mn site, Mn is bonded to eight Mn, two equivalent Rh, and two equivalent Pt atoms to form distorted MnMn8Pt2Rh2 cuboctahedra that share corners with twelve equivalent MnMn8Pt2Rh2 cuboctahedra, edges with four equivalent RhMn12 cuboctahedra, edges with four equivalent PtMn12 cuboctahedra, edges with sixteen MnMn8Pt4 cuboctahedra, faces with two equivalent RhMn12 cuboctahedra, faces with two equivalent PtMn12 cuboctahedra, and faces with fourteen MnMn8Pt4 cuboctahedra. All Mn–Mn bond lengths are 2.57 Å. Both Mn–Rh bond lengths are 2.56 Å. Both Mn–Pt bond lengths are 2.57 Å. Rh is bonded to twelve Mn atoms to form RhMn12 cuboctahedra that share corners with four equivalent RhMn12 cuboctahedra, corners with eight equivalent PtMn12 cuboctahedra, edges with twenty-four MnMn8Pt4 cuboctahedra, faces with two equivalent PtMn12 cuboctahedra, faces with four equivalent RhMn12 cuboctahedra, and faces with twelve MnMn8Rh4 cuboctahedra. Pt is bonded to twelve Mn atoms to form PtMn12 cuboctahedra that share corners with four equivalent PtMn12 cuboctahedra, corners with eight equivalent RhMn12 cuboctahedra, edges with twenty-four MnMn8Rh4 cuboctahedra, faces with two equivalent RhMn12 cuboctahedra, faces with four equivalent PtMn12 cuboctahedra, and faces with twelve MnMn8Pt4 cuboctahedra.
DOI: 10.17188/1746553
title: Materials Data on CoRh by Materials Project

description: CoRh crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Rh and six Co atoms to form distorted RhCo6Rh6 cuboctahedra that share corners with twelve RhCo6Rh6 cuboctahedra, edges with twelve RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent RhCo6Rh6 cuboctahedra, and faces with twelve CoCo6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.66 Å. All Rh–Co bond lengths are 2.62 Å. In the second Rh site, Rh is bonded to ten equivalent Rh and six Co atoms to form distorted RhCo6Rh10 cuboctahedra that share corners with ten CoCo6Rh6 cuboctahedra, corners with twelve RhCo6Rh6 cuboctahedra, edges with eight CoCo6Rh6 cuboctahedra, edges with sixteen RhCo6Rh6 cuboctahedra, faces with sixteen equivalent RhCo6Rh10 cuboctahedra, and faces with eighteen CoCo6Rh6 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.66–5.31 Å. All Rh–Co bond lengths are 2.62 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Rh and six equivalent Co atoms to form distorted CoCo6Rh6 cuboctahedra that share corners with twelve CoCo6Rh6 cuboctahedra, edges with twelve equivalent RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent CoCo6Rh6 cuboctahedra, and faces with twelve equivalent RhCo6Rh6 cuboctahedra. All Co–Co bond lengths are 2.66 Å. In the second Co site, Co is bonded to six Rh and six equivalent Co atoms to form distorted CoCo6Rh6 cuboctahedra that share corners with five equivalent RhCo6Rh10 cuboctahedra, corners with twelve CoCo6Rh6 cuboctahedra, edges with ten RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent CoCo6Rh6 cuboctahedra, and faces with fifteen RhCo6Rh6 cuboctahedra. All Co–Rh bond lengths are 2.62 Å. All Co–Co bond lengths are 2.66 Å. In the third Co site, Co is bonded to six Rh and six equivalent Co atoms to form distorted CoCo6Rh6 cuboctahedra that share corners with five equivalent RhCo6Rh10 cuboctahedra, corners with twelve CoCo6Rh6 cuboctahedra, edges with ten RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent CoCo6Rh6 cuboctahedra, and faces with fifteen RhCo6Rh6 cuboctahedra. All Co–Co bond lengths are 2.66 Å.