cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1280671
title: Materials Data on CsEr13(CoI12)2 by Materials Project

description: CsEr13(CoI12)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cs is bonded to twelve I atoms to form CsI12 cuboctahedra that share corners with twelve equivalent ErCoI5 octahedra and faces with six equivalent ErCoI5 octahedra. The corner-sharing octahedra tilt angles range from 43–44°. There are six shorter (4.28 Å) and six longer (4.33 Å) Cs–I bond lengths. There are three inequivalent Er sites. In the first Er site, Er is bonded to one Co and five I atoms to form distorted ErCoI5 octahedra that share corners with four ErCoI5 octahedra, edges with five ErCoI5 octahedra, and a faceface with one CsI12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–9°. The Er–Co bond length is 2.60 Å. There are a spread of Er–I bond distances ranging from 3.05–3.42 Å. In the second Er site, Er is bonded to one Co and five I atoms to form distorted ErCoI5 octahedra that share corners with two equivalent CsI12 cuboctahedra, corners with two equivalent ErCoI5 octahedra, and edges with six ErCoI5 octahedra. The corner-sharing octahedra tilt angles range from 1–8°. The Er–Co bond length is 2.60 Å. There are a spread of Er–I bond distances ranging from 3.03–3.46 Å. In the third Er site, Er is bonded to six equivalent I atoms to form edge-sharing ErI6 octahedra. All Er–I bond lengths are 3.01 Å. Co is bonded in an octahedral geometry to six Er atoms. There are four inequivalent I sites. In the first I site, I is bonded in a distorted rectangular see-saw-like geometry to one Cs and three Er atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Er atoms. In the third I site, I is bonded in a 3-coordinate geometry to one Cs and two Er atoms. In the fourth I site, I is bonded in a distorted T-shaped geometry to three Er atoms.
DOI: 10.17188/1280673
title: Materials Data on Cu12Sb4S13 by Materials Project

description: Cu12Sb4S13 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.26 Å) and one longer (2.29 Å) Cu–S bond lengths. In the second Cu1+ site, Cu1+ is bonded to four equivalent S2- atoms to form corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.31 Å. Sb+3.50+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.47 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three Cu1+ and one Sb+3.50+ atom to form SCu3Sb tetrahedra that share a cornercorner with one SCu6 octahedra and corners with nine equivalent SCu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second S2- site, S2- is bonded to six equivalent Cu1+ atoms to form corner-sharing SCu6 octahedra.
DOI: 10.17188/1280674
title: Materials Data on C10F3 by Materials Project

description: (C)7(CF)3 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of seventy-two fluoromethane molecules and one hundred and sixty-eight methane molecules.
DOI: 10.17188/1280675
title: Materials Data on Co(IO3)2 (SG:4) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1280676
title: Materials Data on C28Cl5 by Materials Project

description: (C)23(CCl)5 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of forty chloromethane molecules and one hundred and eighty-four methane molecules.
DOI: 10.17188/1280677
title: Materials Data on U2InNi2 by Materials Project

description: U2Ni2In crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded in a 6-coordinate geometry to six Ni and four In atoms. There are a spread of U–Ni bond distances ranging from 2.79–2.84 Å. There are two shorter (3.26 Å) and two longer (3.28 Å) U–In bond lengths. In the second U site, U is bonded in a 6-coordinate geometry to six Ni and four In atoms. There are a spread of U–Ni bond distances ranging from 2.79–2.84 Å. There are a spread of U–In bond distances ranging from 3.26–3.28 Å. In the third U site, U is bonded in a 6-coordinate geometry to six Ni and four In atoms. There are a spread of U–Ni bond distances ranging from 2.79–2.84 Å. There are a spread of U–In bond distances ranging from 3.27–3.29 Å. In the fourth U site, U is bonded in a 6-coordinate geometry to six Ni and four In atoms. There are a spread of U–Ni bond distances ranging from 2.77–2.85 Å. There are a spread of U–In bond distances ranging from 3.26–3.29 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six U, one Ni, and two In atoms. The Ni–Ni bond length is 2.68 Å. Both Ni–In bond lengths are 2.81 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six U, one Ni, and two In atoms. There are one shorter (2.80 Å) and one longer (2.81 Å) Ni–In bond lengths. In the third Ni site, Ni is bonded in a 9-coordinate geometry to six U, one Ni, and two In atoms. The Ni–Ni bond length is 2.68 Å. Both Ni–In bond lengths are 2.81 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to six U, one Ni, and two In atoms. There are one shorter (2.81 Å) and one longer (2.82 Å) Ni–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to eight U and four Ni atoms to form a mixture of face and corner-sharing InU8Ni4 cuboctahedra. In the second In site, In is bonded to eight U and four Ni atoms to form a mixture of face and corner-sharing InU8Ni4 cuboctahedra.
DOI: 10.17188/1280678
title: Materials Data on Sc2(Ni7B2)3 by Materials Project

description: Sc2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All Sc–Ni bond lengths are 2.49 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. All Ni–Ni bond lengths are 2.52 Å. In the second Ni site, Ni is bonded to one Sc and three equivalent B atoms to form a mixture of edge and corner-sharing NiScB3 tetrahedra. All Ni–B bond lengths are 2.10 Å. In the third Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. Both Ni–B bond lengths are 2.08 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.
DOI: 10.17188/1280679
title: Materials Data on Ga4P4O17 by Materials Project

description: Ga4P4O17 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Ga is bonded in a 4-coordinate geometry to five O atoms. There are four shorter (1.85 Å) and one longer (2.50 Å) Ga–O bond lengths. P is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.52 Å) and three longer (1.55 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ga and one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ga and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Ga and one P atom. In the fourth O site, O is bonded in a tetrahedral geometry to four equivalent Ga atoms.
DOI: 10.17188/1280680
title: Materials Data on Re2P2O11 by Materials Project

description: Re2P2O11 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share a cornercorner with one ReO6 octahedra and corners with four PO4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. There are a spread of Re–O bond distances ranging from 1.71–2.07 Å. In the second Re6+ site, Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share a cornercorner with one ReO6 octahedra and corners with four PO4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. There are a spread of Re–O bond distances ranging from 1.71–2.10 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four ReO6 octahedra. The corner-sharing octahedra tilt angles range from 40–41°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four ReO6 octahedra. The corner-sharing octahedra tilt angles range from 12–34°. There is one shorter (1.53 Å) and three longer (1.54 Å) P–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Re6+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Re6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Re6+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom.
DOI: 10.17188/1280682
title: Materials Data on TaSbO4 by Materials Project

description: SbTaO4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form edge-sharing TaO6 octahedra. There are four shorter (1.98 Å) and two longer (2.11 Å) Ta–O bond lengths. Sb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ta5+ and two equivalent Sb3+ atoms.
DOI: 10.17188/1280683
title: Materials Data on Np2InRh2 by Materials Project

description: Np2Rh2In crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Np sites. In the first Np site, Np is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Np–Rh bond distances ranging from 2.73–2.92 Å. In the second Np site, Np is bonded in a 6-coordinate geometry to six Rh atoms. There are two shorter (2.72 Å) and four longer (2.91 Å) Np–Rh bond lengths. In the third Np site, Np is bonded in a 6-coordinate geometry to six Rh atoms. There are two shorter (2.72 Å) and four longer (2.91 Å) Np–Rh bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to six Np and two equivalent In atoms. There are one shorter (2.98 Å) and one longer (2.99 Å) Rh–In bond lengths. In the second Rh site, Rh is bonded in a 8-coordinate geometry to six Np and two equivalent In atoms. Both Rh–In bond lengths are 2.98 Å. In the third Rh site, Rh is bonded in a 8-coordinate geometry to six Np and two equivalent In atoms. Both Rh–In bond lengths are 2.99 Å. In is bonded in a 4-coordinate geometry to four Rh atoms.
DOI: 10.17188/1280684
title: Materials Data on Tm2Ga10Os3 by Materials Project

description: Tm2Os3Ga10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to four Os and ten Ga atoms. There are two shorter (3.19 Å) and two longer (3.26 Å) Tm–Os bond lengths. There are a spread of Tm–Ga bond distances ranging from 2.93–3.03 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to two equivalent Tm and ten Ga atoms to form distorted OsTm2Ga10 cuboctahedra that share corners with two equivalent OsTm2Ga10 cuboctahedra, edges with five equivalent OsTm2Ga10 cuboctahedra, and faces with four equivalent OsTm4Ga8 cuboctahedra. There are a spread of Os–Ga bond distances ranging from 2.64–2.71 Å. In the second Os site, Os is bonded to four equivalent Tm and eight Ga atoms to form distorted OsTm4Ga8 cuboctahedra that share corners with four equivalent OsTm4Ga8 cuboctahedra and faces with eight equivalent OsTm2Ga10 cuboctahedra. All Os–Ga bond lengths are 2.68 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to two equivalent Tm, two equivalent Os, and five Ga atoms. There are four shorter (2.67 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tm, three Os, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.92 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tm, three Os, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.92 Å.
DOI: 10.17188/1280685
title: Materials Data on KNi4(PO4)3 (SG:58) 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: 10.17188/1280686
title: Materials Data on Er2Ga10Os3 by Materials Project

description: Er2Os3Ga10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to four Os and ten Ga atoms. There are two shorter (3.20 Å) and two longer (3.26 Å) Er–Os bond lengths. There are a spread of Er–Ga bond distances ranging from 2.93–3.03 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to two equivalent Er and ten Ga atoms to form distorted OsEr2Ga10 cuboctahedra that share corners with two equivalent OsEr2Ga10 cuboctahedra, edges with five equivalent OsEr2Ga10 cuboctahedra, and faces with four equivalent OsEr4Ga8 cuboctahedra. There are a spread of Os–Ga bond distances ranging from 2.64–2.72 Å. In the second Os site, Os is bonded to four equivalent Er and eight Ga atoms to form distorted OsEr4Ga8 cuboctahedra that share corners with four equivalent OsEr4Ga8 cuboctahedra and faces with eight equivalent OsEr2Ga10 cuboctahedra. All Os–Ga bond lengths are 2.68 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, three Os, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.92 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, three Os, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.72 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to two equivalent Er, two equivalent Os, and five Ga atoms. The Ga–Ga bond length is 2.77 Å.
DOI: 10.17188/1280687
title: Materials Data on ZnAu2(CN)4 by Materials Project

description: Au2Zn(CN)4 crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional and consists of two Au2Zn(CN)4 frameworks. Au1+ is bonded in a distorted linear geometry to two C2+ atoms. Both Au–C bond lengths are 1.99 Å. Zn2+ is bonded in a tetrahedral geometry to four N3- atoms. All Zn–N bond lengths are 1.98 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one Au1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a distorted single-bond geometry to one Au1+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom.
DOI: 10.17188/1280692
title: Materials Data on NaMg2V3O10 (SG: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: 10.17188/1280693
title: Materials Data on Ca5P3O12F by Materials Project

description: Ca5(PO4)3F crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of Ca–O bond distances ranging from 2.37–2.79 Å. The Ca–F bond length is 2.33 Å. In the second Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.42–2.85 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.55 Å) and one longer (1.56 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one P5+ atom. F1- is bonded in a trigonal planar geometry to three equivalent Ca2+ atoms.
DOI: 10.17188/1280695
title: Materials Data on Ba3Co10O17 (SG:166) 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: 10.17188/1280696
title: Materials Data on SbP3C(NCl5)3 by Materials Project

description: CP3(NCl3)3SbCl6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two CP3(NCl3)3 clusters and two SbCl6 clusters. In each CP3(NCl3)3 cluster, C4+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.35 Å) and one longer (1.36 Å) C–N bond length. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to one N3- and three Cl1- atoms. The P–N bond length is 1.57 Å. There are a spread of P–Cl bond distances ranging from 1.98–2.00 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to one N3- and three Cl1- atoms. The P–N bond length is 1.58 Å. There is one shorter (1.97 Å) and two longer (1.99 Å) P–Cl bond length. In the third P5+ site, P5+ is bonded in a tetrahedral geometry to one N3- and three Cl1- atoms. The P–N bond length is 1.58 Å. There is two shorter (1.98 Å) and one longer (2.00 Å) P–Cl bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to one C4+ and one P5+ atom. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to one C4+ and one P5+ atom. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to one C4+ and one P5+ atom. There are nine inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the ninth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.40–2.44 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.
DOI: 10.17188/1280697
title: Materials Data on PBr7 by Materials Project

description: PBr7 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four PBr7 ribbons oriented in the (1, 0, 0) direction. P is bonded in a tetrahedral geometry to four Br atoms. There are two shorter (2.19 Å) and two longer (2.20 Å) P–Br bond lengths. There are six inequivalent Br sites. In the first Br site, Br is bonded in a linear geometry to two Br atoms. There are one shorter (2.42 Å) and one longer (2.86 Å) Br–Br bond lengths. In the second Br site, Br is bonded in a single-bond geometry to one Br atom. In the third Br site, Br is bonded in a single-bond geometry to one P atom. In the fourth Br site, Br is bonded in a single-bond geometry to one P and one Br atom. The Br–Br bond length is 3.10 Å. In the fifth Br site, Br is bonded in a distorted trigonal non-coplanar geometry to three Br atoms. In the sixth Br site, Br is bonded in a single-bond geometry to one P atom.
DOI: 10.17188/1280703
title: Materials Data on Np2InPt2 by Materials Project

description: Np2Pt2In crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Np sites. In the first Np site, Np is bonded in a 6-coordinate geometry to six Pt and four In atoms. There are a spread of Np–Pt bond distances ranging from 2.84–2.99 Å. All Np–In bond lengths are 3.40 Å. In the second Np site, Np is bonded in a 6-coordinate geometry to six Pt and four In atoms. There are a spread of Np–Pt bond distances ranging from 2.81–2.98 Å. All Np–In bond lengths are 3.39 Å. In the third Np site, Np is bonded in a 6-coordinate geometry to six Pt and four In atoms. There are a spread of Np–Pt bond distances ranging from 2.84–2.99 Å. All Np–In bond lengths are 3.39 Å. In the fourth Np site, Np is bonded in a 6-coordinate geometry to six Pt and four In atoms. There are a spread of Np–Pt bond distances ranging from 2.81–2.96 Å. There are two shorter (3.39 Å) and two longer (3.40 Å) Np–In bond lengths. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six Np and two In atoms. There are one shorter (2.99 Å) and one longer (3.03 Å) Pt–In bond lengths. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six Np, one Pt, and two In atoms. The Pt–Pt bond length is 2.89 Å. There are one shorter (3.01 Å) and one longer (3.03 Å) Pt–In bond lengths. In the third Pt site, Pt is bonded in a 9-coordinate geometry to six Np, one Pt, and two In atoms. There are one shorter (2.98 Å) and one longer (3.01 Å) Pt–In bond lengths. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to six Np and two In atoms. There are one shorter (2.97 Å) and one longer (3.02 Å) Pt–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to eight Np and four Pt atoms to form a mixture of distorted corner and face-sharing InNp8Pt4 cuboctahedra. In the second In site, In is bonded to eight Np and four Pt atoms to form a mixture of distorted corner and face-sharing InNp8Pt4 cuboctahedra.