cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1188029
title: Materials Data on ScNi by Materials Project

description: ScNi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Sc–Ni bond lengths are 2.74 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1188030
title: Materials Data on Ni3Sn by Materials Project

description: Ni3Sn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent Sn atoms to form NiNi8Sn4 cuboctahedra that share corners with twelve equivalent NiNi8Sn4 cuboctahedra, edges with eight equivalent SnNi12 cuboctahedra, edges with sixteen equivalent NiNi8Sn4 cuboctahedra, faces with four equivalent SnNi12 cuboctahedra, and faces with fourteen equivalent NiNi8Sn4 cuboctahedra. All Ni–Ni bond lengths are 2.63 Å. All Ni–Sn bond lengths are 2.63 Å. Sn is bonded to twelve equivalent Ni atoms to form SnNi12 cuboctahedra that share corners with twelve equivalent SnNi12 cuboctahedra, edges with twenty-four equivalent NiNi8Sn4 cuboctahedra, faces with six equivalent SnNi12 cuboctahedra, and faces with twelve equivalent NiNi8Sn4 cuboctahedra.
DOI: 10.17188/1188031
title: Materials Data on Ni3Sn by Materials Project

description: Ni3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sn atoms. All Ni–Ni bond lengths are 2.56 Å. All Ni–Sn bond lengths are 2.96 Å. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Ni and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.56 Å. Sn is bonded in a distorted body-centered cubic geometry to fourteen Ni atoms.
DOI: 10.17188/1188032
title: Materials Data on TlNi by Materials Project

description: NiTl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni is bonded in a distorted body-centered cubic geometry to two equivalent Ni and six equivalent Tl atoms. Both Ni–Ni bond lengths are 2.53 Å. All Ni–Tl bond lengths are 2.72 Å. Tl is bonded in a 6-coordinate geometry to six equivalent Ni atoms.
DOI: 10.17188/1188033
title: Materials Data on TmNi by Materials Project

description: TmNi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 7-coordinate geometry to seven equivalent Ni atoms. There are a spread of Tm–Ni bond distances ranging from 2.83–2.89 Å. Ni is bonded in a 9-coordinate geometry to seven equivalent Tm and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.52 Å.
DOI: 10.17188/1188034
title: Materials Data on TmNi5 by Materials Project

description: TmNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.79 Å) and twelve longer (3.12 Å) Tm–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tm and nine Ni atoms. There are six shorter (2.42 Å) and three longer (2.79 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to four equivalent Tm and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiTm4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.41 Å.
DOI: 10.17188/1188035
title: Materials Data on Tm2Ni17 by Materials Project

description: Tm2Ni17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Tm–Ni bond distances ranging from 2.89–3.21 Å. In the second Tm site, Tm is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Tm–Ni bond distances ranging from 2.80–3.10 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Tm and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.38–2.70 Å. In the second Ni site, Ni is bonded to two equivalent Tm and ten Ni atoms to form NiTm2Ni10 cuboctahedra that share corners with fourteen NiTm2Ni10 cuboctahedra, edges with six equivalent NiTm3Ni9 cuboctahedra, and faces with ten NiTm2Ni10 cuboctahedra. There are four shorter (2.37 Å) and four longer (2.39 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to two Tm and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.35–2.50 Å. In the fourth Ni site, Ni is bonded to three Tm and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiTm3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.38 Å.
DOI: 10.17188/1188036
title: Materials Data on Li2S by Materials Project

description: Li2S is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.48 Å. S2- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms.
DOI: 10.21957/bwf5-8929
title: Deterministic ECMWF reference analysis for the winter period
DOI: 10.17188/1188037
title: Materials Data on VNi2 by Materials Project

description: Ni2V crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. V is bonded to two equivalent V and ten equivalent Ni atoms to form VV2Ni10 cuboctahedra that share corners with two equivalent VV2Ni10 cuboctahedra, corners with ten equivalent NiV5Ni7 cuboctahedra, edges with twelve equivalent VV2Ni10 cuboctahedra, edges with twelve equivalent NiV5Ni7 cuboctahedra, faces with four equivalent VV2Ni10 cuboctahedra, and faces with fourteen equivalent NiV5Ni7 cuboctahedra. Both V–V bond lengths are 2.52 Å. There are two shorter (2.52 Å) and eight longer (2.53 Å) V–Ni bond lengths. Ni is bonded to five equivalent V and seven equivalent Ni atoms to form NiV5Ni7 cuboctahedra that share corners with five equivalent VV2Ni10 cuboctahedra, corners with seven equivalent NiV5Ni7 cuboctahedra, edges with six equivalent VV2Ni10 cuboctahedra, edges with eighteen equivalent NiV5Ni7 cuboctahedra, faces with seven equivalent VV2Ni10 cuboctahedra, and faces with eleven equivalent NiV5Ni7 cuboctahedra. There are six shorter (2.52 Å) and one longer (2.55 Å) Ni–Ni bond lengths.
DOI: 10.17188/1188038
title: Materials Data on Zn11Ni2 by Materials Project

description: Ni2Zn11 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ni is bonded in a distorted q6 geometry to twelve Zn atoms. There are a spread of Ni–Zn bond distances ranging from 2.57–2.73 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Ni and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.66 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Ni and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.97 Å. In the third Zn site, Zn is bonded in a 7-coordinate geometry to two equivalent Ni and eleven Zn atoms. The Zn–Zn bond length is 2.58 Å.
DOI: 10.17188/1188039
title: Materials Data on ZrZnNi4 by Materials Project

description: ZrNi4Zn is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Zn atoms. All Zr–Ni bond lengths are 2.81 Å. All Zr–Zn bond lengths are 2.94 Å. Ni is bonded to three equivalent Zr, six equivalent Ni, and three equivalent Zn atoms to form a mixture of face, edge, and corner-sharing NiZr3Zn3Ni6 cuboctahedra. There are three shorter (2.38 Å) and three longer (2.41 Å) Ni–Ni bond lengths. All Ni–Zn bond lengths are 2.81 Å. Zn is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Ni atoms.
DOI: 10.17188/1188040
title: Materials Data on Np by Materials Project

description: Np is alpha Np structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded in a distorted see-saw-like geometry to four equivalent Np atoms. There are a spread of Np–Np bond distances ranging from 2.49–2.59 Å. In the second Np site, Np is bonded to four equivalent Np atoms to form a mixture of distorted corner and edge-sharing NpNp4 trigonal pyramids.
DOI: 10.17188/1188041
title: Materials Data on NpOs2 by Materials Project

description: NpOs2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Np4+ is bonded in a 12-coordinate geometry to twelve equivalent Os2- atoms. All Np–Os bond lengths are 3.10 Å. Os2- is bonded to six equivalent Np4+ and six equivalent Os2- atoms to form a mixture of face, edge, and corner-sharing OsNp6Os6 cuboctahedra. All Os–Os bond lengths are 2.65 Å.
DOI: 10.17188/1188042
title: Materials Data on NpRh3 by Materials Project

description: NpRh3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np is bonded to twelve equivalent Rh atoms to form a mixture of face and corner-sharing NpRh12 cuboctahedra. All Np–Rh bond lengths are 2.83 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Np atoms.
DOI: 10.17188/1188043
title: Materials Data on NbAlRu2 by Materials Project

description: NbRu2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.69 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Al atoms. All Ru–Al bond lengths are 2.69 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1188044
title: Materials Data on TbAlNi by Materials Project

description: TbNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.86 Å) and one longer (2.95 Å) Tb–Ni bond lengths. There are two shorter (3.11 Å) and four longer (3.20 Å) Tb–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Al atoms. All Ni–Al bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Al atoms. All Ni–Al bond lengths are 2.77 Å. Al is bonded in a 12-coordinate geometry to six equivalent Tb, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.88 Å.
DOI: 10.17188/1188045
title: Materials Data on SmAl3Pd2 by Materials Project

description: SmPd2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a distorted hexagonal planar geometry to six equivalent Pd atoms. All Sm–Pd bond lengths are 3.15 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Al atoms. All Pd–Al bond lengths are 2.64 Å. Al is bonded in a 12-coordinate geometry to four equivalent Pd atoms.
DOI: 10.17188/1188046
title: Materials Data on Ho4C7 by Materials Project

description: Ho4C7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six C+1.71- atoms to form distorted HoC6 octahedra that share corners with two equivalent HoC7 octahedra and edges with seven HoC6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Ho–C bond distances ranging from 2.49–2.66 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight C+1.71- atoms. There are a spread of Ho–C bond distances ranging from 2.42–2.66 Å. In the third Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to nine C+1.71- atoms. There are a spread of Ho–C bond distances ranging from 2.39–2.92 Å. In the fourth Ho3+ site, Ho3+ is bonded to seven C+1.71- atoms to form distorted HoC7 octahedra that share corners with two equivalent HoC6 octahedra, corners with two CHo4C trigonal bipyramids, and edges with five HoC6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Ho–C bond distances ranging from 2.44–3.06 Å. There are seven inequivalent C+1.71- sites. In the first C+1.71- site, C+1.71- is bonded to five Ho3+ and one C+1.71- atom to form distorted CHo5C octahedra that share corners with six CHo4C trigonal bipyramids, edges with four CHo5C octahedra, and edges with three CHo4C trigonal bipyramids. The C–C bond length is 1.35 Å. In the second C+1.71- site, C+1.71- is bonded in a 6-coordinate geometry to four Ho3+ and two C+1.71- atoms. Both C–C bond lengths are 1.33 Å. In the third C+1.71- site, C+1.71- is bonded in a 4-coordinate geometry to three Ho3+ and two C+1.71- atoms. The C–C bond length is 1.31 Å. In the fourth C+1.71- site, C+1.71- is bonded to six Ho3+ atoms to form CHo6 octahedra that share corners with three CHo4C trigonal bipyramids, edges with six CHo5C octahedra, and edges with three CHo4C trigonal bipyramids. In the fifth C+1.71- site, C+1.71- is bonded in a 4-coordinate geometry to four Ho3+ and one C+1.71- atom. In the sixth C+1.71- site, C+1.71- is bonded to four Ho3+ and one C+1.71- atom to form distorted CHo4C trigonal bipyramids that share a cornercorner with one HoC7 octahedra, corners with four CHo5C octahedra, corners with five CHo4C trigonal bipyramids, edges with three CHo5C octahedra, and an edgeedge with one CHo4C trigonal bipyramid. The corner-sharing octahedra tilt angles range from 9–116°. In the seventh C+1.71- site, C+1.71- is bonded to four Ho3+ and one C+1.71- atom to form distorted CHo4C trigonal bipyramids that share a cornercorner with one HoC7 octahedra, corners with five CHo5C octahedra, corners with five CHo4C trigonal bipyramids, and edges with three CHo6 octahedra. The corner-sharing octahedra tilt angles range from 2–96°.
DOI: 10.17188/1188047
title: Materials Data on PtO by Materials Project

description: PtO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pt2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–O bond lengths are 2.31 Å. O2- is bonded to six equivalent Pt2+ atoms to form a mixture of edge and corner-sharing OPt6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1188048
title: Materials Data on ZrOs by Materials Project

description: OsZr is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr2+ is bonded in a body-centered cubic geometry to eight equivalent Os2- atoms. All Zr–Os bond lengths are 2.85 Å. Os2- is bonded in a body-centered cubic geometry to eight equivalent Zr2+ atoms.
DOI: 10.17188/1188049
title: Materials Data on Yb2Pb by Materials Project

description: Yb2Pb is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Yb–Pb bond distances ranging from 3.36–3.71 Å. In the second Yb site, Yb is bonded to four equivalent Pb atoms to form a mixture of distorted corner and edge-sharing YbPb4 trigonal pyramids. There are three shorter (3.16 Å) and one longer (3.33 Å) Yb–Pb bond lengths. Pb is bonded in a 9-coordinate geometry to nine Yb atoms.
DOI: 10.17188/1188050
title: Materials Data on TiPd by Materials Project

description: TiPd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Ti–Pd bond lengths are 2.75 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1188051
title: Materials Data on YTlPd by Materials Project

description: YPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.07 Å) and one longer (3.17 Å) Y–Pd bond lengths. There are two shorter (3.23 Å) and four longer (3.38 Å) Y–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.92 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.84 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Y and four Pd atoms.
DOI: 10.17188/1188052
title: Materials Data on YbTlPd by Materials Project

description: YbPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. All Yb–Pd bond lengths are 3.10 Å. There are two shorter (3.27 Å) and four longer (3.39 Å) Yb–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.88 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.88 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Yb and four Pd atoms.
DOI: 10.17188/1188053
title: Materials Data on VPd2 by Materials Project

description: VPd2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. V is bonded to two equivalent V and ten equivalent Pd atoms to form distorted VV2Pd10 cuboctahedra that share corners with two equivalent VV2Pd10 cuboctahedra, corners with ten equivalent PdV5Pd7 cuboctahedra, edges with twelve equivalent VV2Pd10 cuboctahedra, edges with twelve equivalent PdV5Pd7 cuboctahedra, faces with four equivalent VV2Pd10 cuboctahedra, and faces with fourteen equivalent PdV5Pd7 cuboctahedra. Both V–V bond lengths are 2.75 Å. There are eight shorter (2.71 Å) and two longer (2.82 Å) V–Pd bond lengths. Pd is bonded to five equivalent V and seven equivalent Pd atoms to form distorted PdV5Pd7 cuboctahedra that share corners with five equivalent VV2Pd10 cuboctahedra, corners with seven equivalent PdV5Pd7 cuboctahedra, edges with six equivalent VV2Pd10 cuboctahedra, edges with eighteen equivalent PdV5Pd7 cuboctahedra, faces with seven equivalent VV2Pd10 cuboctahedra, and faces with eleven equivalent PdV5Pd7 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.70–2.77 Å.
DOI: 10.17188/1188054
title: Materials Data on Sc2Pt by Materials Project

description: Sc2Pt is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are one shorter (2.70 Å) and two longer (2.89 Å) Sc–Pt bond lengths. In the second Sc site, Sc is bonded to four equivalent Pt atoms to form a mixture of edge and corner-sharing ScPt4 tetrahedra. There are a spread of Sc–Pt bond distances ranging from 2.70–2.78 Å. Pt is bonded in a 7-coordinate geometry to seven Sc atoms.
DOI: 10.17188/1188055
title: Materials Data on Tb2Pt by Materials Project

description: PtTb2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Pt atoms to form a mixture of edge and corner-sharing TbPt4 tetrahedra. There are one shorter (2.90 Å) and three longer (2.97 Å) Tb–Pt bond lengths. In the second Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are one shorter (2.83 Å) and two longer (3.07 Å) Tb–Pt bond lengths. Pt is bonded in a 7-coordinate geometry to seven Tb atoms.
DOI: 10.17188/1188057
title: Materials Data on TiPt by Materials Project

description: PtTi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Ti–Pt bond lengths are 2.75 Å. Pt2- is bonded in a body-centered cubic geometry to eight equivalent Ti2+ atoms.
DOI: 10.17188/1188058
title: Materials Data on TlPt by Materials Project

description: PtTl crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a hexagonal planar geometry to six equivalent Tl atoms. All Pt–Tl bond lengths are 3.38 Å. In the second Pt site, Pt is bonded to six equivalent Tl atoms to form a mixture of distorted face, edge, and corner-sharing PtTl6 pentagonal pyramids. All Pt–Tl bond lengths are 2.74 Å. Tl is bonded to six Pt atoms to form a mixture of distorted face, edge, and corner-sharing TlPt6 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1188059
title: Materials Data on ZrPt by Materials Project

description: ZrPt is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Zr–Pt bond lengths are 2.91 Å. Pt2- is bonded in a body-centered cubic geometry to eight equivalent Zr2+ atoms.
DOI: 10.17188/1188060
title: Materials Data on PuRu by Materials Project

description: PuRu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Pu–Ru bond lengths are 2.83 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Pu atoms.
DOI: 10.17188/1188061
title: Materials Data on PuRu2 by Materials Project

description: PuRu2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pu is bonded in a 12-coordinate geometry to twelve equivalent Ru atoms. All Pu–Ru bond lengths are 3.06 Å. Ru is bonded to six equivalent Pu and six equivalent Ru atoms to form a mixture of edge, corner, and face-sharing RuPu6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.61 Å.
DOI: 10.17188/1188062
title: Materials Data on ScRe2 by Materials Project

description: ScRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Sc–Re bond distances ranging from 3.07–3.11 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Sc and six equivalent Re atoms to form a mixture of face, edge, and corner-sharing ReSc6Re6 cuboctahedra. All Re–Re bond lengths are 2.67 Å. In the second Re site, Re is bonded to six equivalent Sc and six Re atoms to form a mixture of face, edge, and corner-sharing ReSc6Re6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.73 Å) Re–Re bond lengths.