cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1726870
title: Materials Data on S2N(O2F)2 by Materials Project

description: (FSO2)2N crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two ac1nqyjp molecules. N2- is bonded in a bent 120 degrees geometry to two S6+ atoms. There is one shorter (1.63 Å) and one longer (1.68 Å) N–S bond length. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to one N2-, two O2-, and one F1- atom to form corner-sharing SNO2F tetrahedra. There is one shorter (1.42 Å) and one longer (1.44 Å) S–O bond length. The S–F bond length is 1.58 Å. In the second S6+ site, S6+ is bonded to one N2-, two O2-, and one F1- atom to form distorted corner-sharing SNO2F tetrahedra. Both S–O bond lengths are 1.42 Å. The S–F bond length is 1.59 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S6+ atom.
DOI: 10.17188/1726871
title: Materials Data on Co4SnN4 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: 10.17188/1726872
title: Materials Data on Li4Ti2Ni3Sb3O16 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: 10.17188/1726873
title: Materials Data on U(NiAs)2 by Materials Project

description: U(NiAs)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (3.12 Å) and four longer (3.13 Å) U–As bond lengths. There are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.41 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded in a 5-coordinate geometry to five As3- atoms. There are one shorter (2.30 Å) and four longer (2.35 Å) Ni–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent U3+ and four equivalent Ni+1.50+ atoms. In the second As3- site, As3- is bonded in a 5-coordinate geometry to four equivalent U3+ and five Ni+1.50+ atoms.
DOI: 10.17188/1726874
title: Materials Data on Pu2ReB6 by Materials Project

description: Pu2ReB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Pu+4.50+ sites. In the first Pu+4.50+ site, Pu+4.50+ is bonded in a 2-coordinate geometry to fourteen B2- atoms. There are a spread of Pu–B bond distances ranging from 2.65–2.79 Å. In the second Pu+4.50+ site, Pu+4.50+ is bonded in a 12-coordinate geometry to twelve B2- atoms. There are a spread of Pu–B bond distances ranging from 2.63–2.70 Å. Re3+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Re–B bond distances ranging from 2.36–2.40 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 8-coordinate geometry to six Pu+4.50+ and two B2- atoms. There is one shorter (1.71 Å) and one longer (1.72 Å) B–B bond length. In the second B2- site, B2- is bonded in a 3-coordinate geometry to four equivalent Pu+4.50+, two equivalent Re3+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.79–1.83 Å. In the third B2- site, B2- is bonded in a 3-coordinate geometry to four Pu+4.50+, two equivalent Re3+, and three B2- atoms. The B–B bond length is 1.80 Å. In the fourth B2- site, B2- is bonded in a 9-coordinate geometry to four Pu+4.50+, two equivalent Re3+, and three B2- atoms. There is one shorter (1.76 Å) and one longer (1.84 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 3-coordinate geometry to four Pu+4.50+, two equivalent Re3+, and three B2- atoms. The B–B bond length is 1.80 Å. In the sixth B2- site, B2- is bonded in a 9-coordinate geometry to four Pu+4.50+, two equivalent Re3+, and three B2- atoms.
DOI: 10.17188/1726875
title: Materials Data on Sn5C8Se10N2O by Materials Project

description: Sn5C8N2Se10O crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted tetrahedral geometry to four equivalent Se2- atoms. All Sn–Se bond lengths are 3.13 Å. In the second Sn4+ site, Sn4+ is bonded in a 1-coordinate geometry to three Se2- and one O2- atom. There are a spread of Sn–Se bond distances ranging from 2.60–3.31 Å. The Sn–O bond length is 2.33 Å. There are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a distorted single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.48 Å. The C–Se bond length is 1.85 Å. In the second C1+ site, C1+ is bonded in a 1-coordinate geometry to one C1+, one N3-, and one Se2- atom. The C–C bond length is 1.33 Å. The C–N bond length is 1.51 Å. The C–Se bond length is 1.86 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to four equivalent C1+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to four equivalent C1+ atoms. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent Sn4+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to two Sn4+ and one C1+ atom. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to one Sn4+ and one C1+ atom. O2- is bonded in a distorted tetrahedral geometry to four equivalent Sn4+ atoms.
DOI: 10.17188/1726876
title: Materials Data on Li2SnPd by Materials Project

description: Li2PdSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Pd and four equivalent Sn atoms. All Li–Pd bond lengths are 2.73 Å. All Li–Sn bond lengths are 2.73 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1726877
title: Materials Data on Cu4NiGe2S7 by Materials Project

description: Cu4NiGe2S7 is Stannite-like structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ni2+ is bonded to four S2- atoms to form NiS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra and corners with eight CuS4 tetrahedra. There are two shorter (2.23 Å) and two longer (2.24 Å) Ni–S bond lengths. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share a cornercorner with one NiS4 tetrahedra, corners with five equivalent GeS4 tetrahedra, and corners with six CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.27–2.32 Å. In the second Cu1+ site, Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with three equivalent NiS4 tetrahedra, corners with four equivalent GeS4 tetrahedra, and corners with five CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.28–2.30 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share a cornercorner with one GeS4 tetrahedra, corners with two equivalent NiS4 tetrahedra, and corners with nine CuS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.26–2.36 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form corner-sharing SCu2Ge2 tetrahedra. In the second S2- site, S2- is bonded to one Ni2+, two Cu1+, and one Ge4+ atom to form corner-sharing SCu2NiGe tetrahedra. In the third S2- site, S2- is bonded to three Cu1+ and one Ge4+ atom to form corner-sharing SCu3Ge tetrahedra. In the fourth S2- site, S2- is bonded to one Ni2+, two equivalent Cu1+, and one Ge4+ atom to form corner-sharing SCu2NiGe tetrahedra.
DOI: 10.17188/1726878
title: Materials Data on K2RbAlI6 by Materials Project

description: (K)2RbAlI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one RbAlI6 framework. In the RbAlI6 framework, Rb1+ is bonded to six equivalent I1- atoms to form RbI6 octahedra that share corners with six equivalent AlI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–I bond lengths are 3.45 Å. Al3+ is bonded to six equivalent I1- atoms to form AlI6 octahedra that share corners with six equivalent RbI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–I bond lengths are 2.77 Å. I1- is bonded in a linear geometry to one Rb1+ and one Al3+ atom.
DOI: 10.17188/1726879
title: Materials Data on V4(OF3)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: 10.17188/1726881
title: Materials Data on ZnS 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: 10.17188/1726882
title: Materials Data on MgZn by Materials Project

description: MgZn crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to five Mg and seven Zn atoms to form distorted MgMg5Zn7 cuboctahedra that share corners with twelve MgMg5Zn7 cuboctahedra, edges with two equivalent ZnMg7Zn5 cuboctahedra, edges with seven MgMg6Zn6 cuboctahedra, faces with five equivalent ZnMg7Zn5 cuboctahedra, and faces with nine MgMg5Zn7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.00–3.12 Å. There are a spread of Mg–Zn bond distances ranging from 2.84–3.09 Å. In the second Mg site, Mg is bonded to six Mg and six Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent MgMg6Zn6 cuboctahedra, corners with six equivalent ZnMg7Zn5 cuboctahedra, edges with three equivalent ZnMg7Zn5 cuboctahedra, edges with six MgMg5Zn7 cuboctahedra, faces with three equivalent ZnMg7Zn5 cuboctahedra, and faces with eleven MgMg5Zn7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.96–3.09 Å. There are a spread of Mg–Zn bond distances ranging from 2.90–3.09 Å. In the third Mg site, Mg is bonded to seven Mg and five Zn atoms to form distorted MgMg7Zn5 cuboctahedra that share corners with twelve MgMg5Zn7 cuboctahedra, edges with five MgMg5Zn7 cuboctahedra, edges with six equivalent ZnMg7Zn5 cuboctahedra, faces with three equivalent ZnMg7Zn5 cuboctahedra, and faces with ten MgMg5Zn7 cuboctahedra. Both Mg–Mg bond lengths are 3.00 Å. There are one shorter (2.86 Å) and four longer (2.90 Å) Mg–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to five Mg and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.81–3.00 Å. In the second Zn site, Zn is bonded in a 11-coordinate geometry to six Mg and five Zn atoms. There are one shorter (2.71 Å) and two longer (3.00 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to seven Mg and five Zn atoms to form distorted ZnMg7Zn5 cuboctahedra that share corners with six equivalent MgMg6Zn6 cuboctahedra, corners with six equivalent ZnMg7Zn5 cuboctahedra, edges with eleven MgMg5Zn7 cuboctahedra, faces with two equivalent ZnMg7Zn5 cuboctahedra, and faces with eleven MgMg5Zn7 cuboctahedra. Both Zn–Zn bond lengths are 3.00 Å.
DOI: 10.17188/1726883
title: Materials Data on KCO3 by Materials Project

description: KCO3 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 2.76–3.27 Å. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.28 Å) and one longer (1.29 Å) C–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to four equivalent K and one C atom. In the second O site, O is bonded in a single-bond geometry to three equivalent K and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent K and one C atom.
DOI: 10.17188/1726884
title: Materials Data on ReH2NCl4O by Materials Project

description: ReNH2OCl4 is beta Sn-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ReNH2OCl4 clusters. Re7+ is bonded in a distorted octahedral geometry to one N3-, one O2-, and four Cl1- atoms. The Re–N bond length is 1.68 Å. The Re–O bond length is 2.48 Å. There are two shorter (2.31 Å) and two longer (2.33 Å) Re–Cl bond lengths. N3- is bonded in a single-bond geometry to one Re7+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to one Re7+ and two equivalent H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom.
DOI: 10.5281/zenodo.4491016
title: large-variance clones for recall measurement

description: Large-variance clones automatically generated based on mutation techniques
DOI: 10.17188/1726885
title: Materials Data on MgZn2 by Materials Project

description: MgZn2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to ten Zn atoms to form a mixture of distorted corner, edge, and face-sharing MgZn10 cuboctahedra. There are a spread of Mg–Zn bond distances ranging from 2.82–2.91 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to five equivalent Mg and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.79–3.01 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to five equivalent Mg and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.79–3.01 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to five equivalent Mg and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.79–3.01 Å.
DOI: 10.5281/zenodo.4441350
title: large-variance clones for recall measurement

description: Large-variance clones automatically generated based on mutation techniques
DOI: 10.17188/1726886
title: Materials Data on Cs3ScCl6 by Materials Project

description: Cs3ScCl6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.42–3.82 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.49–3.85 Å. In the third Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.62–4.21 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sc–Cl bond distances ranging from 2.49–2.54 Å. In the second Sc3+ site, Sc3+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.52 Å) and two longer (2.53 Å) Sc–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Cs1+ and one Sc3+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Cs1+ and one Sc3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Sc3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Sc3+ atom. In the fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Sc3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Sc3+ atom.
DOI: 10.17188/1726887
title: Materials Data on Zr5CuBi3 by Materials Project

description: Zr5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing ZrCu2Bi5 pentagonal bipyramids. Both Zr–Cu bond lengths are 2.74 Å. There are a spread of Zr–Bi bond distances ranging from 3.01–3.15 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to two equivalent Zr and six equivalent Bi atoms. Both Zr–Zr bond lengths are 2.96 Å. All Zr–Bi bond lengths are 3.12 Å. Cu is bonded to six equivalent Zr atoms to form face-sharing CuZr6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1726888
title: Materials Data on Zr5Sn3N by Materials Project

description: Zr5Sn3N crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Zr–Sn bond lengths are 2.96 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent N atoms. There are a spread of Zr–Sn bond distances ranging from 2.98–3.30 Å. Both Zr–N bond lengths are 2.37 Å. Sn is bonded in a 9-coordinate geometry to nine Zr atoms. N is bonded to six equivalent Zr atoms to form face-sharing NZr6 octahedra.
DOI: 10.17188/1726889
title: Materials Data on La(Al5Cu)2 by Materials Project

description: La(CuAl5)2 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Cu and sixteen Al atoms. All La–Cu bond lengths are 3.59 Å. There are a spread of La–Al bond distances ranging from 3.24–3.42 Å. Cu is bonded in a 12-coordinate geometry to two equivalent La and eight Al atoms. There are four shorter (2.60 Å) and four longer (2.70 Å) Cu–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one La, two equivalent Cu, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.91 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent La, two equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.71 Å. In the third Al site, Al is bonded to two equivalent La and ten Al atoms to form a mixture of corner and face-sharing AlLa2Al10 cuboctahedra. Both Al–Al bond lengths are 2.62 Å.
DOI: 10.17188/1726890
title: Materials Data on LaZnFeWO6 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: 10.17188/1726892
title: Materials Data on Ir2Pt(NCl)10 by Materials Project

description: PtCl6(IrN5Cl2)2 is Krennerite-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four IrN5Cl2 clusters and two PtCl6 clusters. In each IrN5Cl2 cluster, Ir5+ is bonded in a 6-coordinate geometry to five N+0.60- and one Cl1- atom. There are a spread of Ir–N bond distances ranging from 1.80–2.31 Å. The Ir–Cl bond length is 2.44 Å. There are three inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in an L-shaped geometry to one Ir5+ and one Cl1- atom. The N–Cl bond length is 1.54 Å. In the second N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ir5+ atom. In the third N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ir5+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent N+0.60- atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In each PtCl6 cluster, Pt6+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.33 Å) and four longer (2.34 Å) Pt–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt6+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pt6+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pt6+ atom.
DOI: 10.17188/1726893
title: Materials Data on Li4V3Sn3(SbO8)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: 10.17188/1726894
title: Materials Data on OsW2 by Materials Project

description: W2Os is beta Uranium-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent W sites. In the first W site, W is bonded in a 9-coordinate geometry to nine W and six Os atoms. There are a spread of W–W bond distances ranging from 2.66–3.22 Å. There are two shorter (2.88 Å) and four longer (2.97 Å) W–Os bond lengths. In the second W site, W is bonded in a 6-coordinate geometry to two W and four equivalent Os atoms. The W–W bond length is 2.65 Å. There are three shorter (2.72 Å) and one longer (2.74 Å) W–Os bond lengths. In the third W site, W is bonded in a 7-coordinate geometry to five W and five Os atoms. Both W–W bond lengths are 2.50 Å. There are a spread of W–Os bond distances ranging from 2.78–2.84 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to eight W and four equivalent Os atoms to form OsOs4W8 cuboctahedra that share corners with sixteen equivalent OsOs2W10 cuboctahedra, edges with two equivalent OsOs4W8 cuboctahedra, and faces with four equivalent OsOs2W10 cuboctahedra. All Os–Os bond lengths are 2.65 Å. In the second Os site, Os is bonded to ten W and two Os atoms to form OsOs2W10 cuboctahedra that share corners with eleven OsOs4W8 cuboctahedra, edges with three equivalent OsOs2W10 cuboctahedra, and faces with seven OsOs4W8 cuboctahedra. The Os–Os bond length is 2.68 Å.