cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1189352
title: Materials Data on SrSi by Materials Project

description: SrSi is delta Molybdenum Boride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven equivalent Si atoms. There are a spread of Sr–Si bond distances ranging from 3.26–3.40 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Sr and two equivalent Si atoms. Both Si–Si bond lengths are 2.48 Å.
DOI: 10.17188/1189353
title: Materials Data on Ba2LaTaO6 by Materials Project

description: Ba2LaTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.11 Å. La3+ is bonded to six O2- atoms to form LaO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 17–22°. All La–O bond lengths are 2.40 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent LaO6 octahedra. The corner-sharing octahedra tilt angles range from 17–22°. All Ta–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one La3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one La3+, and one Ta5+ atom.
DOI: 10.17188/1189355
title: Materials Data on ThAl3 by Materials Project

description: ThAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Al atoms to form a mixture of distorted face and corner-sharing ThAl12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.27 Å) Th–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent Th and six equivalent Al atoms. There are two shorter (2.75 Å) and four longer (2.81 Å) Al–Al bond lengths.
DOI: 10.17188/1189356
title: Materials Data on Sc2O3 by Materials Project

description: Sc2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.04–2.41 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sc3+ atoms to form OSc4 tetrahedra that share corners with six equivalent OSc6 octahedra, corners with six equivalent OSc4 tetrahedra, edges with three equivalent OSc6 octahedra, and edges with three equivalent OSc4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–54°. In the second O2- site, O2- is bonded to six equivalent Sc3+ atoms to form OSc6 octahedra that share corners with twelve equivalent OSc4 tetrahedra, edges with six equivalent OSc6 octahedra, and edges with six equivalent OSc4 tetrahedra.
DOI: 10.17188/1189357
title: Materials Data on Y2O3 by Materials Project

description: Y2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.22–2.59 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Y3+ atoms to form OY4 tetrahedra that share corners with six equivalent OY6 octahedra, corners with six equivalent OY4 tetrahedra, edges with three equivalent OY6 octahedra, and edges with three equivalent OY4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–55°. In the second O2- site, O2- is bonded to six equivalent Y3+ atoms to form OY6 octahedra that share corners with twelve equivalent OY4 tetrahedra, edges with six equivalent OY6 octahedra, and edges with six equivalent OY4 tetrahedra.
DOI: 10.17188/1189359
title: Materials Data on Dy2O3 by Materials Project

description: Dy2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.21–2.58 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with six equivalent ODy6 octahedra, corners with six equivalent ODy4 tetrahedra, edges with three equivalent ODy6 octahedra, and edges with three equivalent ODy4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–55°. In the second O2- site, O2- is bonded to six equivalent Dy3+ atoms to form ODy6 octahedra that share corners with twelve equivalent ODy4 tetrahedra, edges with six equivalent ODy6 octahedra, and edges with six equivalent ODy4 tetrahedra.
DOI: 10.17188/1189360
title: Materials Data on Ho2O3 by Materials Project

description: Ho2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.57 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ho3+ atoms to form OHo4 tetrahedra that share corners with six equivalent OHo6 octahedra, corners with six equivalent OHo4 tetrahedra, edges with three equivalent OHo6 octahedra, and edges with three equivalent OHo4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–55°. In the second O2- site, O2- is bonded to six equivalent Ho3+ atoms to form OHo6 octahedra that share corners with twelve equivalent OHo4 tetrahedra, edges with six equivalent OHo6 octahedra, and edges with six equivalent OHo4 tetrahedra.
DOI: 10.17188/1189362
title: Materials Data on Tm2O3 by Materials Project

description: Tm2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.17–2.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tm3+ atoms to form OTm4 tetrahedra that share corners with six equivalent OTm6 octahedra, corners with six equivalent OTm4 tetrahedra, edges with three equivalent OTm6 octahedra, and edges with three equivalent OTm4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–55°. In the second O2- site, O2- is bonded to six equivalent Tm3+ atoms to form OTm6 octahedra that share corners with twelve equivalent OTm4 tetrahedra, edges with six equivalent OTm6 octahedra, and edges with six equivalent OTm4 tetrahedra.
DOI: 10.17188/1189363
title: Materials Data on Lu2O3 by Materials Project

description: Lu2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.14–2.52 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Lu3+ atoms to form OLu4 tetrahedra that share corners with six equivalent OLu6 octahedra, corners with six equivalent OLu4 tetrahedra, edges with three equivalent OLu6 octahedra, and edges with three equivalent OLu4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–55°. In the second O2- site, O2- is bonded to six equivalent Lu3+ atoms to form OLu6 octahedra that share corners with twelve equivalent OLu4 tetrahedra, edges with six equivalent OLu6 octahedra, and edges with six equivalent OLu4 tetrahedra.
DOI: 10.17188/1189364
title: Materials Data on Er(AlGe)2 by Materials Project

description: Al2ErGe2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Er is bonded to six equivalent Ge atoms to form distorted ErGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent ErGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Er–Ge bond lengths are 2.98 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent ErGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent ErGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–56°. There are three shorter (2.55 Å) and one longer (2.57 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Er and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing GeEr3Al4 pentagonal bipyramids.
DOI: 10.17188/1189365
title: Materials Data on LiGa by Materials Project

description: LiGa is Zintl Phase structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of two LiGa frameworks. Li is bonded to four equivalent Ga atoms to form distorted corner-sharing LiGa4 tetrahedra. All Li–Ga bond lengths are 2.71 Å. Ga is bonded to four equivalent Li atoms to form distorted corner-sharing GaLi4 tetrahedra.
DOI: 10.17188/1189366
title: Materials Data on Sc2AlC by Materials Project

description: Sc2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All Sc–Al bond lengths are 3.16 Å. All Sc–C bond lengths are 2.27 Å. Al is bonded in a 6-coordinate geometry to six equivalent Sc atoms. C is bonded to six equivalent Sc atoms to form edge-sharing CSc6 octahedra.
DOI: 10.17188/1189368
title: Materials Data on PrGe3Rh by Materials Project

description: PrRhGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Ge atoms. There are one shorter (3.46 Å) and four longer (3.54 Å) Pr–Rh bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.23–3.48 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are one shorter (2.41 Å) and four longer (2.46 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.75 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Pr, one Rh, and four equivalent Ge atoms.
DOI: 10.17188/1189369
title: Materials Data on PrNiGe3 by Materials Project

description: PrNiGe3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Pr–Ni bond lengths are 3.24 Å. There are a spread of Pr–Ge bond distances ranging from 3.14–3.29 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.36–2.39 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Ni, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.96 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Ni, and five Ge atoms. The Ge–Ge bond length is 2.49 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å.
DOI: 10.17188/1189370
title: Materials Data on LuNiPb by Materials Project

description: LuNiPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to five Ni and six equivalent Pb atoms. There are four shorter (2.96 Å) and one longer (2.99 Å) Lu–Ni bond lengths. There are two shorter (3.12 Å) and four longer (3.25 Å) Lu–Pb bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Pb atoms. All Ni–Pb bond lengths are 2.77 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Pb atoms. All Ni–Pb bond lengths are 2.75 Å. Pb is bonded in a 10-coordinate geometry to six equivalent Lu and four Ni atoms.
DOI: 10.17188/1189371
title: Materials Data on IrN2 by Materials Project

description: IrN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent N2- atoms to form IrN6 octahedra that share corners with eight equivalent IrN6 octahedra, corners with six equivalent NIr3N tetrahedra, and edges with two equivalent IrN6 octahedra. The corner-sharing octahedral tilt angles are 67°. There are two shorter (2.08 Å) and four longer (2.11 Å) Ir–N bond lengths. N2- is bonded to three equivalent Ir4+ and one N2- atom to form distorted NIr3N tetrahedra that share corners with three equivalent IrN6 octahedra, corners with thirteen equivalent NIr3N tetrahedra, and an edgeedge with one NIr3N tetrahedra. The corner-sharing octahedra tilt angles range from 64–66°. The N–N bond length is 1.38 Å.
DOI: 10.17188/1189372
title: Materials Data on Mn2AlCo by Materials Project

description: Mn2CoAl crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn and four equivalent Co atoms. All Mn–Mn bond lengths are 2.49 Å. All Mn–Co bond lengths are 2.49 Å. In the second Mn site, Mn is bonded in a 8-coordinate geometry to four equivalent Mn, six equivalent Co, and four equivalent Al atoms. All Mn–Co bond lengths are 2.87 Å. All Mn–Al bond lengths are 2.49 Å. Co is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Al atoms. All Co–Al bond lengths are 2.49 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Co atoms.
DOI: 10.17188/1189373
title: Materials Data on Mn2CoSi by Materials Project

description: Mn2CoSi is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Co, and six equivalent Si atoms. All Mn–Mn bond lengths are 2.44 Å. All Mn–Co bond lengths are 2.44 Å. All Mn–Si bond lengths are 2.81 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, six equivalent Co, and four equivalent Si atoms. All Mn–Co bond lengths are 2.81 Å. All Mn–Si bond lengths are 2.44 Å. Co is bonded in a 8-coordinate geometry to ten Mn and four equivalent Si atoms. All Co–Si bond lengths are 2.44 Å. Si is bonded in a 8-coordinate geometry to ten Mn and four equivalent Co atoms.
DOI: 10.17188/1189374
title: Materials Data on Mn2CoSb by Materials Project

description: Mn2CoSb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent Sb atoms to form distorted edge-sharing MnMn4Sb4 tetrahedra. All Mn–Mn bond lengths are 2.59 Å. All Mn–Sb bond lengths are 2.59 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Co, and six equivalent Sb atoms. All Mn–Co bond lengths are 2.59 Å. All Mn–Sb bond lengths are 3.00 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Sb atoms. All Co–Sb bond lengths are 2.59 Å. Sb is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Co atoms.
DOI: 10.17188/1189375
title: Materials Data on Cu2SnTe3 by Materials Project

description: Cu2SnTe3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with five equivalent SnTe4 tetrahedra and corners with seven equivalent CuTe4 tetrahedra. There are two shorter (2.59 Å) and two longer (2.60 Å) Cu–Te bond lengths. Sn4+ is bonded to four Te2- atoms to form SnTe4 tetrahedra that share corners with two equivalent SnTe4 tetrahedra and corners with ten equivalent CuTe4 tetrahedra. There are two shorter (2.82 Å) and two longer (2.89 Å) Sn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Cu1+ and two equivalent Sn4+ atoms to form corner-sharing TeCu2Sn2 tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Cu1+ and one Sn4+ atom to form corner-sharing TeCu3Sn tetrahedra.
DOI: 10.17188/1189376
title: Materials Data on YMgAl by Materials Project

description: MgYAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Al atoms. There are two shorter (2.85 Å) and two longer (2.89 Å) Mg–Al bond lengths. Y is bonded in a 5-coordinate geometry to five Al atoms. There are four shorter (3.16 Å) and one longer (3.19 Å) Y–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Y atoms. In the second Al site, Al is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Y atoms.
DOI: 10.17188/1189377
title: Materials Data on Zr6Al2Ni by Materials Project

description: Zr6NiAl2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Ni and two equivalent Al atoms. Both Zr–Ni bond lengths are 2.63 Å. Both Zr–Al bond lengths are 3.01 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Ni and four equivalent Al atoms. The Zr–Ni bond length is 3.20 Å. All Zr–Al bond lengths are 2.95 Å. Ni is bonded in a 6-coordinate geometry to nine Zr atoms. Al is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1189378
title: Materials Data on La3Ni2Sn7 by Materials Project

description: La3Ni2Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to four equivalent Ni and ten Sn atoms. All La–Ni bond lengths are 3.65 Å. There are a spread of La–Sn bond distances ranging from 3.43–3.57 Å. In the second La site, La is bonded to two equivalent Ni and twelve Sn atoms to form a mixture of distorted corner and face-sharing LaNi2Sn12 cuboctahedra. Both La–Ni bond lengths are 3.56 Å. There are four shorter (3.29 Å) and eight longer (3.40 Å) La–Sn bond lengths. Ni is bonded in a 5-coordinate geometry to five La and five Sn atoms. There are one shorter (2.52 Å) and four longer (2.56 Å) Ni–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four La and two equivalent Ni atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent La, one Ni, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.91 Å. In the third Sn site, Sn is bonded in a square co-planar geometry to four equivalent La atoms. In the fourth Sn site, Sn is bonded in a 12-coordinate geometry to four La and two equivalent Ni atoms.
DOI: 10.17188/1189379
title: Materials Data on YAl2Ni by Materials Project

description: YNiAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Al atoms. There are one shorter (2.85 Å) and two longer (3.06 Å) Y–Ni bond lengths. There are a spread of Y–Al bond distances ranging from 3.08–3.31 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Al atoms. There are two shorter (2.46 Å) and four longer (2.50 Å) Ni–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Y and three equivalent Ni atoms.
DOI: 10.17188/1189380
title: Materials Data on YAlNi by Materials Project

description: YNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.87 Å) and one longer (2.90 Å) Y–Ni bond lengths. There are two shorter (3.12 Å) and four longer (3.19 Å) Y–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Al atoms. All Ni–Al bond lengths are 2.73 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Al atoms. All Ni–Al bond lengths are 2.55 Å. Al is bonded in a 12-coordinate geometry to six equivalent Y, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.83 Å.
DOI: 10.17188/1189381
title: Materials Data on Y3AlNi8 by Materials Project

description: Y3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to nine Ni and three equivalent Al atoms to form YAl3Ni9 cuboctahedra that share corners with nine NiY6Ni6 cuboctahedra, corners with three equivalent AlY5Ni3 hexagonal bipyramids, edges with six equivalent YAl3Ni9 cuboctahedra, edges with three equivalent AlY5Ni3 hexagonal bipyramids, and faces with three equivalent NiY3Al3Ni6 cuboctahedra. There are six shorter (2.64 Å) and three longer (2.92 Å) Y–Ni bond lengths. All Y–Al bond lengths are 2.92 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to twelve Ni and one Al atom. There are a spread of Y–Ni bond distances ranging from 2.80–3.17 Å. The Y–Al bond length is 3.37 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to four Y and six Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.45–2.60 Å. In the second Ni site, Ni is bonded to six equivalent Y and six equivalent Ni atoms to form NiY6Ni6 cuboctahedra that share corners with six equivalent YAl3Ni9 cuboctahedra, corners with six equivalent AlY5Ni3 hexagonal bipyramids, edges with six equivalent NiY6Ni6 cuboctahedra, and faces with two equivalent NiY3Al3Ni6 cuboctahedra. In the third Ni site, Ni is bonded to three equivalent Y, six equivalent Ni, and three equivalent Al atoms to form NiY3Al3Ni6 cuboctahedra that share corners with three equivalent YAl3Ni9 cuboctahedra, corners with three equivalent AlY5Ni3 hexagonal bipyramids, edges with six equivalent NiY3Al3Ni6 cuboctahedra, edges with three equivalent AlY5Ni3 hexagonal bipyramids, faces with two equivalent NiY6Ni6 cuboctahedra, and faces with three equivalent YAl3Ni9 cuboctahedra. All Ni–Al bond lengths are 2.92 Å. Al is bonded to five Y and three equivalent Ni atoms to form distorted AlY5Ni3 hexagonal bipyramids that share corners with three equivalent YAl3Ni9 cuboctahedra, corners with nine NiY6Ni6 cuboctahedra, edges with three equivalent YAl3Ni9 cuboctahedra, edges with three equivalent NiY3Al3Ni6 cuboctahedra, and edges with six equivalent AlY5Ni3 hexagonal bipyramids.