cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1697647
title: Materials Data on Mg16Al12Zn by Materials Project

description: Mg16ZnAl12 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, one Zn, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.09–3.25 Å. The Mg–Zn bond length is 2.99 Å. There are a spread of Mg–Al bond distances ranging from 2.95–3.15 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to three equivalent Mg, one Zn, and twelve Al atoms. All Mg–Mg bond lengths are 3.14 Å. The Mg–Zn bond length is 2.88 Å. There are nine shorter (3.18 Å) and three longer (3.25 Å) Mg–Al bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.15 Å. There are a spread of Mg–Al bond distances ranging from 2.96–3.14 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. Both Mg–Mg bond lengths are 3.05 Å. There are a spread of Mg–Al bond distances ranging from 3.06–3.12 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.20 Å. There are a spread of Mg–Al bond distances ranging from 2.88–3.13 Å. Zn is bonded in a 10-coordinate geometry to four Mg and six equivalent Al atoms. All Zn–Al bond lengths are 2.98 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to eight Mg and three Al atoms. There are one shorter (2.69 Å) and two longer (2.77 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.76 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to seven Mg, one Zn, and three Al atoms. There are one shorter (2.71 Å) and one longer (2.73 Å) Al–Al bond lengths.
DOI: 10.17188/1697648
title: Materials Data on La9Ni6O19 by Materials Project

description: La9Ni6O19 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted q6 geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.58–2.66 Å. In the second La3+ site, La3+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.69–2.76 Å. In the third La3+ site, La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.27–3.05 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.32–2.83 Å. In the fifth La3+ site, La3+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.28–3.01 Å. There are three inequivalent Ni+1.83+ sites. In the first Ni+1.83+ site, Ni+1.83+ is bonded to five O2- atoms to form NiO5 square pyramids that share corners with two equivalent NiO6 octahedra and corners with two equivalent NiO5 square pyramids. The corner-sharing octahedral tilt angles are 2°. There are a spread of Ni–O bond distances ranging from 1.91–2.49 Å. In the second Ni+1.83+ site, Ni+1.83+ is bonded to six O2- atoms to form NiO6 octahedra that share a cornercorner with one NiO6 octahedra and corners with four NiO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ni–O bond distances ranging from 1.97–2.09 Å. In the third Ni+1.83+ site, Ni+1.83+ is bonded to five O2- atoms to form distorted NiO5 square pyramids that share corners with two equivalent NiO6 octahedra and corners with two equivalent NiO5 square pyramids. The corner-sharing octahedral tilt angles are 2°. There are a spread of Ni–O bond distances ranging from 1.93–2.58 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five La3+ and one Ni+1.83+ atom. In the second O2- site, O2- is bonded to four La3+ and two Ni+1.83+ atoms to form a mixture of distorted face, edge, and corner-sharing OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–64°. In the third O2- site, O2- is bonded to four La3+ and two Ni+1.83+ atoms to form a mixture of distorted face, edge, and corner-sharing OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–64°. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four La3+ and two Ni+1.83+ atoms. In the fifth O2- site, O2- is bonded to four La3+ and two equivalent Ni+1.83+ atoms to form a mixture of distorted face and corner-sharing OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to four La3+ and one Ni+1.83+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to five La3+ and one Ni+1.83+ atom.
DOI: 10.17188/1697652
title: Materials Data on Li3NbV2O6 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: 10.17188/1697653
title: Materials Data on Sc3V2Si3 by Materials Project

description: Sc3V2Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Sc+2.67+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing ScSi5 trigonal bipyramids. There are a spread of Sc–Si bond distances ranging from 2.67–2.86 Å. V2+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All V–Si bond lengths are 2.66 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Sc+2.67+ and four equivalent V2+ atoms.
DOI: 10.17188/1697654
title: Materials Data on Ti4Te3N2 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: 10.17188/1697655
title: Materials Data on Th2FeS5 by Materials Project

description: FeTh2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Th–S bond distances ranging from 2.78–3.12 Å. Fe2+ is bonded to six S2- atoms to form corner-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are four shorter (2.50 Å) and two longer (2.60 Å) Fe–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Th4+ atoms to form distorted edge-sharing STh4 trigonal pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Th4+ and one Fe2+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Th4+ and two equivalent Fe2+ atoms.
DOI: 10.17188/1697657
title: Materials Data on LiMn2(PO4)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: 10.17188/1697658
title: Materials Data on VPO5 by Materials Project

description: VOPO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of V–O bond distances ranging from 1.82–1.92 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 33–41°. There is two shorter (1.53 Å) and two longer (1.56 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms.
DOI: 10.17188/1697660
title: Materials Data on K2Cr2Cu(PO7)2 by Materials Project

description: K2Cr2Cu(PO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.82–3.29 Å. Cr is bonded to four O atoms to form CrO4 tetrahedra that share a cornercorner with one PO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.61–1.86 Å. Cu is bonded in a distorted square co-planar geometry to four O atoms. There is two shorter (1.88 Å) and two longer (1.90 Å) Cu–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one CrO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one K, one Cu, and one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Cu and one P atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one K, one Cr, and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Cr atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Cr atom. In the sixth O site, O is bonded in a single-bond geometry to two equivalent K and one Cr atom. In the seventh O site, O is bonded in a single-bond geometry to two equivalent K and one P atom.
DOI: 10.17188/1697661
title: Materials Data on SrI2O15 by Materials Project

description: SrO11I2(O2)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of four oxygen molecules and one SrO11I2 sheet oriented in the (0, 1, 0) direction. In the SrO11I2 sheet, Sr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.39–2.74 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Sr and one O atom. The O–O bond length is 1.22 Å. In the second O site, O is bonded in a water-like geometry to one Sr and one I atom. The O–I bond length is 1.81 Å. In the third O site, O is bonded in a linear geometry to one Sr and one I atom. The O–I bond length is 1.80 Å. In the fourth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.78 Å. In the fifth O site, O is bonded in a water-like geometry to one Sr and one I atom. The O–I bond length is 1.81 Å. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Sr and one I atom. The O–I bond length is 1.83 Å. In the seventh O site, O is bonded in a distorted linear geometry to one Sr and one I atom. The O–I bond length is 1.88 Å. In the eighth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.93 Å. In the ninth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.93 Å. In the tenth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.93 Å. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one Sr and one I atom. The O–I bond length is 1.84 Å. There are two inequivalent I sites. In the first I site, I is bonded in a tetrahedral geometry to four O atoms. In the second I site, I is bonded in an octahedral geometry to six O atoms.
DOI: 10.17188/1697662
title: Materials Data on Ga3Au by Materials Project

description: AuGa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Au is bonded to twelve Ga atoms to form AuGa12 cuboctahedra that share corners with four equivalent AuGa12 cuboctahedra, corners with twenty-four GaGa4Au4 cuboctahedra, edges with eight equivalent AuGa12 cuboctahedra, edges with eight equivalent GaGa4Au4 cuboctahedra, faces with four equivalent AuGa12 cuboctahedra, and faces with six equivalent GaGa8Au4 cuboctahedra. There are eight shorter (2.95 Å) and four longer (3.00 Å) Au–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Au and four equivalent Ga atoms to form distorted GaGa4Au4 cuboctahedra that share corners with eight equivalent AuGa12 cuboctahedra, corners with sixteen GaGa4Au4 cuboctahedra, edges with four equivalent AuGa12 cuboctahedra, edges with sixteen GaGa4Au4 cuboctahedra, and faces with six equivalent GaGa4Au4 cuboctahedra. All Ga–Ga bond lengths are 2.95 Å. In the second Ga site, Ga is bonded to four equivalent Au and eight equivalent Ga atoms to form distorted GaGa8Au4 cuboctahedra that share corners with eight equivalent AuGa12 cuboctahedra, corners with twenty GaGa4Au4 cuboctahedra, edges with sixteen GaGa4Au4 cuboctahedra, faces with four equivalent GaGa8Au4 cuboctahedra, and faces with six equivalent AuGa12 cuboctahedra.
DOI: 10.17188/1697663
title: Materials Data on Sn7GeN6 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: 10.17188/1697665
title: Materials Data on HgN4(ClO4)2 by Materials Project

description: Hg(N2)2(ClO4)2 is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen ammonia molecules, four mercury molecules, and eight ClO4 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.44 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.
DOI: 10.17188/1697666
title: Materials Data on NaPO by Materials Project

description: NaPO crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Na is bonded in a distorted linear geometry to two equivalent O atoms. Both Na–O bond lengths are 2.44 Å. P is bonded in a distorted square co-planar geometry to four equivalent O atoms. There are two shorter (2.16 Å) and two longer (2.19 Å) P–O bond lengths. O is bonded to two equivalent Na and four equivalent P atoms to form a mixture of corner and edge-sharing ONa2P4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1697667
title: Materials Data on YbCuPb by Materials Project

description: YbCuPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to six equivalent Cu and six equivalent Pb atoms to form a mixture of edge and face-sharing YbCu6Pb6 cuboctahedra. All Yb–Cu bond lengths are 3.26 Å. All Yb–Pb bond lengths are 3.26 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Yb and three equivalent Pb atoms. All Cu–Pb bond lengths are 2.72 Å. Pb is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Cu atoms.
DOI: 10.17188/1697668
title: Materials Data on RbMg6Nb by Materials Project

description: RbMg6Nb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to twelve Mg atoms to form RbMg12 cuboctahedra that share corners with six equivalent RbMg12 cuboctahedra, faces with two equivalent RbMg12 cuboctahedra, and faces with six equivalent NbMg12 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.27–3.36 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, six Mg, and two equivalent Nb atoms. There are a spread of Mg–Mg bond distances ranging from 3.01–3.30 Å. Both Mg–Nb bond lengths are 3.10 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Rb, six Mg, and two equivalent Nb atoms. All Mg–Mg bond lengths are 3.18 Å. Both Mg–Nb bond lengths are 3.13 Å. In the third Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, seven Mg, and two equivalent Nb atoms. There are a spread of Mg–Mg bond distances ranging from 3.10–3.48 Å. There are one shorter (3.20 Å) and one longer (3.38 Å) Mg–Nb bond lengths. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Rb, eight Mg, and two equivalent Nb atoms. Both Mg–Nb bond lengths are 3.36 Å. Nb is bonded to twelve Mg atoms to form NbMg12 cuboctahedra that share corners with six equivalent NbMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with six equivalent RbMg12 cuboctahedra.
DOI: 10.17188/1697669
title: Materials Data on Be2CdPt by Materials Project

description: Be2PtCd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Be2PtCd ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to one Pt and one Cd atom. The Be–Pt bond length is 2.06 Å. The Be–Cd bond length is 2.41 Å. Pt is bonded in a linear geometry to two equivalent Be atoms. Cd is bonded in a linear geometry to two equivalent Be atoms.
DOI: 10.17188/1697670
title: Materials Data on Hg3Sb by Materials Project

description: Hg3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Hg1+ sites. In the first Hg1+ site, Hg1+ is bonded in a body-centered cubic geometry to four equivalent Hg1+ and four equivalent Sb3- atoms. All Hg–Hg bond lengths are 3.26 Å. All Hg–Sb bond lengths are 3.26 Å. In the second Hg1+ site, Hg1+ is bonded in a body-centered cubic geometry to eight equivalent Hg1+ atoms. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Hg1+ atoms.
DOI: 10.17188/1697672
title: Materials Data on RbBa2I5 by Materials Project

description: RbBa2I5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.65–4.25 Å. There are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Ba–I bond distances ranging from 3.58–3.74 Å. In the second Ba2+ site, Ba2+ is bonded to seven I1- atoms to form distorted edge-sharing BaI7 pentagonal bipyramids. There are a spread of Ba–I bond distances ranging from 3.43–3.62 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded to two equivalent Rb1+ and two equivalent Ba2+ atoms to form distorted IRb2Ba2 trigonal pyramids that share corners with six IRb2Ba3 square pyramids, corners with two equivalent IRb2Ba2 trigonal pyramids, edges with three IRb2Ba3 square pyramids, and an edgeedge with one IRb2Ba2 trigonal pyramid. In the second I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Ba2+ atoms. In the third I1- site, I1- is bonded to two equivalent Rb1+ and three Ba2+ atoms to form distorted IRb2Ba3 square pyramids that share corners with eight IRb2Ba3 square pyramids, corners with two equivalent IRb2Ba2 trigonal pyramids, an edgeedge with one IRb2Ba3 square pyramid, edges with two equivalent IRb2Ba2 trigonal pyramids, and a faceface with one IRb2Ba3 square pyramid. In the fourth I1- site, I1- is bonded to two equivalent Rb1+ and three Ba2+ atoms to form distorted IRb2Ba3 square pyramids that share corners with four equivalent IRb2Ba3 square pyramids, corners with four equivalent IRb2Ba2 trigonal pyramids, edges with three IRb2Ba3 square pyramids, an edgeedge with one IRb2Ba2 trigonal pyramid, and a faceface with one IRb2Ba3 square pyramid. In the fifth I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to four Ba2+ atoms.
DOI: 10.17188/1697673
title: Materials Data on ErTl(PSe3)2 by Materials Project

description: ErTl(PSe3)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Er–Se bond distances ranging from 2.96–3.11 Å. Tl1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.27–3.92 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.20–2.25 Å. In the second P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.17–2.25 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Er3+, two equivalent Tl1+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to one Er3+, two equivalent Tl1+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Er3+, one Tl1+, and one P4+ atom. In the fourth Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Tl1+ and one P4+ atom. In the fifth Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Er3+, one Tl1+, and one P4+ atom. In the sixth Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one P4+ atom.
DOI: 10.17188/1697674
title: Materials Data on Nb2Pt by Materials Project

description: Nb2Pt is beta Uranium-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to nine Nb and six Pt atoms. There are a spread of Nb–Nb bond distances ranging from 2.78–3.30 Å. There are two shorter (2.99 Å) and four longer (3.06 Å) Nb–Pt bond lengths. In the second Nb site, Nb is bonded in a 4-coordinate geometry to one Nb and four equivalent Pt atoms. There are a spread of Nb–Pt bond distances ranging from 2.79–2.84 Å. In the third Nb site, Nb is bonded in a 7-coordinate geometry to five Nb and five Pt atoms. There are one shorter (2.57 Å) and one longer (2.62 Å) Nb–Nb bond lengths. There are a spread of Nb–Pt bond distances ranging from 2.88–2.93 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to eight Nb and four equivalent Pt atoms to form PtNb8Pt4 cuboctahedra that share corners with sixteen equivalent PtNb10Pt2 cuboctahedra, edges with two equivalent PtNb8Pt4 cuboctahedra, and faces with four equivalent PtNb10Pt2 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å. In the second Pt site, Pt is bonded to ten Nb and two Pt atoms to form distorted PtNb10Pt2 cuboctahedra that share corners with eleven PtNb8Pt4 cuboctahedra, edges with three equivalent PtNb10Pt2 cuboctahedra, and faces with seven PtNb8Pt4 cuboctahedra. The Pt–Pt bond length is 2.77 Å.