cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1684426
title: Materials Data on Sc3(CuGe)4 by Materials Project

description: Sc3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to six Ge atoms to form edge-sharing ScGe6 octahedra. There are four shorter (2.85 Å) and two longer (2.89 Å) Sc–Ge bond lengths. In the second Sc site, Sc is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (2.91 Å) and two longer (2.97 Å) Sc–Cu bond lengths. There are two shorter (2.92 Å) and four longer (2.93 Å) Sc–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Sc, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.53 Å. There are a spread of Cu–Ge bond distances ranging from 2.42–2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Sc and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Sc, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.53 Å.
DOI: 10.17188/1684427
title: Materials Data on Zr7As4 by Materials Project

description: Zr7As4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are eight inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted square co-planar geometry to four As atoms. There are two shorter (2.72 Å) and two longer (2.95 Å) Zr–As bond lengths. In the second Zr site, Zr is bonded in a square co-planar geometry to four As atoms. There are two shorter (2.79 Å) and two longer (2.88 Å) Zr–As bond lengths. In the third Zr site, Zr is bonded in a 4-coordinate geometry to five As atoms. There are a spread of Zr–As bond distances ranging from 2.81–3.33 Å. In the fourth Zr site, Zr is bonded in a 4-coordinate geometry to four As atoms. There are a spread of Zr–As bond distances ranging from 2.71–2.92 Å. In the fifth Zr site, Zr is bonded to five As atoms to form a mixture of distorted face, edge, and corner-sharing ZrAs5 trigonal bipyramids. There are a spread of Zr–As bond distances ranging from 2.68–2.81 Å. In the sixth Zr site, Zr is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Zr–As bond distances ranging from 2.79–3.20 Å. In the seventh Zr site, Zr is bonded to five As atoms to form a mixture of distorted face, edge, and corner-sharing ZrAs5 trigonal bipyramids. There are a spread of Zr–As bond distances ranging from 2.74–2.80 Å. In the eighth Zr site, Zr is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Zr–As bond distances ranging from 2.82–3.10 Å. There are four inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to eight Zr atoms. In the second As site, As is bonded to seven Zr atoms to form a mixture of distorted edge and corner-sharing AsZr7 pentagonal bipyramids. In the third As site, As is bonded in a 9-coordinate geometry to nine Zr atoms. In the fourth As site, As is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1684428
title: Materials Data on Tb2CoGe6 by Materials Project

description: Tb2CoGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 3.00–3.23 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Co and ten Ge atoms. All Tb–Co bond lengths are 3.12 Å. There are a spread of Tb–Ge bond distances ranging from 3.03–3.32 Å. Co is bonded in a 9-coordinate geometry to four equivalent Tb and five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.29–2.35 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Tb, two equivalent Co, and five Ge atoms. There are one shorter (2.50 Å) and four longer (2.85 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tb and five Ge atoms. All Ge–Ge bond lengths are 2.85 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Tb, two equivalent Co, and five Ge atoms. The Ge–Ge bond length is 2.52 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tb and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Tb, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Tb and two equivalent Ge atoms.
DOI: 10.17188/1684429
title: Materials Data on KAs(HO2)2 by Materials Project

description: KH2AsO4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.07 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.70 Å) and two longer (1.77 Å) As–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.51 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one As5+, and one H1+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one As5+, and one H1+ atom.
DOI: 10.17188/1684430
title: Materials Data on H6C2S(BrN)2 by Materials Project

description: C2H6S(NBr)2 crystallizes in the tetragonal P4_12_12 space group. The structure is zero-dimensional and consists of four C2H6S(NBr)2 clusters. C2+ is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.09 Å. The C–S bond length is 1.80 Å. N3- is bonded in a distorted single-bond geometry to one S2- and one Br1- atom. The N–S bond length is 1.58 Å. The N–Br bond length is 1.92 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. S2- is bonded in a 4-coordinate geometry to two equivalent C2+ and two equivalent N3- atoms. Br1- is bonded in a distorted single-bond geometry to one N3- atom.
DOI: 10.6084/m9.figshare.13378703
title: Metadata record for: Building schematic of Vienna in the late 1920s

description: This dataset contains key characteristics about the data described in the Data Descriptor Building schematic of Vienna in the late 1920s. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.17188/1684432
title: Materials Data on Sm4(CoB2)3 by Materials Project

description: (Sm2CoB3)2Co crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three cobalt molecules and three Sm2CoB3 sheets oriented in the (0, 0, 1) direction. In each Sm2CoB3 sheet, there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Sm–B bond lengths are 2.70 Å. In the second Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Sm–B bond lengths are 2.68 Å. Co2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Co–B bond lengths are 2.14 Å. B3- is bonded in a 9-coordinate geometry to four Sm3+, two equivalent Co2+, and three equivalent B3- atoms. There is two shorter (1.78 Å) and one longer (1.79 Å) B–B bond length.
DOI: 10.6084/m9.figshare.13378703.v1
title: Metadata record for: Building schematic of Vienna in the late 1920s

description: This dataset contains key characteristics about the data described in the Data Descriptor Building schematic of Vienna in the late 1920s. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.17188/1684433
title: Materials Data on Li4Ti3V3(TeO8)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1684434
title: Materials Data on Th(Al2Cu)4 by Materials Project

description: Th(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Th–Cu bond lengths are 3.42 Å. There are four shorter (3.13 Å) and eight longer (3.23 Å) Th–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Th, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.56 Å. There are four shorter (2.59 Å) and four longer (2.73 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Th, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.84 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Th, four equivalent Cu, and four equivalent Al atoms.
DOI: 10.17188/1684435
title: Materials Data on SrCa7Ti2Mn6O22 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: 10.17188/1684436
title: Materials Data on Cu3SnAu by Materials Project

description: AuCu3Sn crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Au is bonded in a 12-coordinate geometry to nine equivalent Cu and three equivalent Sn atoms. There are a spread of Au–Cu bond distances ranging from 2.68–3.00 Å. All Au–Sn bond lengths are 2.79 Å. Cu is bonded in a 10-coordinate geometry to three equivalent Au, four equivalent Cu, and three equivalent Sn atoms. There are two shorter (2.64 Å) and two longer (2.65 Å) Cu–Cu bond lengths. There are one shorter (2.71 Å) and two longer (2.87 Å) Cu–Sn bond lengths. Sn is bonded in a 12-coordinate geometry to three equivalent Au and nine equivalent Cu atoms.
DOI: 10.17188/1684437
title: Materials Data on CsRb2AuCl6 by Materials Project

description: CsRb2AuCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.18 Å. Rb1+ is bonded to twelve equivalent Cl1- atoms to form distorted RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent CsCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Rb–Cl bond lengths are 4.04 Å. Au3+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent CsCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.52 Å. Cl1- is bonded in a linear geometry to one Cs1+, four equivalent Rb1+, and one Au3+ atom.
DOI: 10.17188/1684438
title: Materials Data on Li3V2(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: 10.17188/1684439
title: Materials Data on CeCoSi2Rh by Materials Project

description: CeRhCoSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ce–Si bond lengths are 3.10 Å. Rh3+ is bonded to four equivalent Si4- atoms to form RhSi4 tetrahedra that share corners with four equivalent RhSi4 tetrahedra and edges with four equivalent CoSi4 tetrahedra. All Rh–Si bond lengths are 2.37 Å. Co2+ is bonded to four equivalent Si4- atoms to form CoSi4 tetrahedra that share corners with four equivalent CoSi4 tetrahedra and edges with four equivalent RhSi4 tetrahedra. All Co–Si bond lengths are 2.37 Å. Si4- is bonded in a 2-coordinate geometry to four equivalent Ce3+, two equivalent Rh3+, two equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.49 Å.
DOI: 10.17188/1684440
title: Materials Data on LiV8F33 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: 10.17188/1684441
title: Materials Data on PNO4 by Materials Project

description: PNO4 is beta Np structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four PNO4 clusters. P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.55 Å. N3+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.13 Å) and one longer (1.84 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one N3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N3+ atom.
DOI: 10.17188/1684442
title: Materials Data on Li3V2(FeO4)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1684443
title: Materials Data on Mg2Zn by Materials Project

description: Mg2Zn crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg7Zn5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.96–3.13 Å. There are a spread of Mg–Zn bond distances ranging from 2.98–3.05 Å. In the second Mg site, Mg is bonded to seven Mg and five equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg7Zn5 cuboctahedra. There are one shorter (3.02 Å) and one longer (3.10 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 2.98–3.05 Å. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.
DOI: 10.17188/1684444
title: Materials Data on Na2LiMnPCO7 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: 10.17188/1684445
title: Materials Data on Mn2OF4 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: 10.17188/1684446
title: Materials Data on TiCo3(PO4)4 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: 10.17188/1684447
title: Materials Data on Ca3LaMn4O12 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: 10.17188/1684448
title: Materials Data on LiCr2P3O11 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: 10.17188/1684449
title: Materials Data on PW6Cl17 by Materials Project

description: W6Cl17P crystallizes in the orthorhombic Imm2 space group. The structure is one-dimensional and consists of two phosphine molecules and two W6Cl17 ribbons oriented in the (1, 0, 0) direction. In each W6Cl17 ribbon, there are three inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five Cl1- atoms to form a mixture of edge and corner-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.41–2.61 Å. In the second W2+ site, W2+ is bonded to five Cl1- atoms to form a mixture of edge and corner-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.33–2.45 Å. In the third W2+ site, W2+ is bonded to five Cl1- atoms to form edge-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.36–2.46 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent W2+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent W2+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two W2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two W2+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W2+ atoms. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one W2+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one W2+ atom.
DOI: 10.17188/1684450
title: Materials Data on La4Cu3TeO12 by Materials Project

description: La4Cu3TeO12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with two equivalent TeO6 octahedra, and faces with six equivalent CuO6 octahedra. All La–O bond lengths are 2.81 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with four equivalent CuO6 octahedra, and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.99 Å) and two longer (2.05 Å) Cu–O bond lengths. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 1.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+, one Cu2+, and one Te6+ atom.
DOI: 10.17188/1684451
title: Materials Data on Y4S3N2 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: 10.17188/1684452
title: Materials Data on K4CoMo4O15 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: 10.17188/1684453
title: Materials Data on ScBi3(MoO6)2 by Materials Project

description: ScBi3(MoO6)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sc3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sc–O bond distances ranging from 2.10–2.28 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.86 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.82 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–3.00 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+ and two Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sc3+ and two Bi3+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two equivalent Bi3+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ and two equivalent Bi3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Sc3+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OSc2Bi2 tetrahedra.
DOI: 10.17188/1684454
title: Materials Data on PrCoNi by Materials Project

description: PrCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Co and six equivalent Ni atoms. All Pr–Co bond lengths are 3.02 Å. There are four shorter (3.00 Å) and two longer (3.04 Å) Pr–Ni bond lengths. Co is bonded to six equivalent Pr, two equivalent Co, and four equivalent Ni atoms to form CoPr6Co2Ni4 cuboctahedra that share corners with eight equivalent NiPr6Co4Ni2 cuboctahedra, corners with ten equivalent CoPr6Co2Ni4 cuboctahedra, edges with six equivalent CoPr6Co2Ni4 cuboctahedra, faces with six equivalent CoPr6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiPr6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.55 Å. All Co–Ni bond lengths are 2.58 Å. Ni is bonded to six equivalent Pr, four equivalent Co, and two equivalent Ni atoms to form NiPr6Co4Ni2 cuboctahedra that share corners with eight equivalent CoPr6Co2Ni4 cuboctahedra, corners with ten equivalent NiPr6Co4Ni2 cuboctahedra, edges with six equivalent NiPr6Co4Ni2 cuboctahedra, faces with six equivalent NiPr6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoPr6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.58 Å.