cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1739359
title: Materials Data on Sc2Se3 by Materials Project

description: Sc2Se3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sc3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing ScSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are two shorter (2.70 Å) and four longer (2.72 Å) Sc–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a square co-planar geometry to four equivalent Sc3+ atoms. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four equivalent Sc3+ atoms.
DOI: 10.17188/1739360
title: Materials Data on U6Ta4Al43 by Materials Project

description: U6Ta4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to one U, one Ta, and fifteen Al atoms. The U–U bond length is 3.23 Å. The U–Ta bond length is 3.56 Å. There are a spread of U–Al bond distances ranging from 3.07–3.51 Å. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded to twelve Al atoms to form TaAl12 cuboctahedra that share edges with six equivalent AlTa2Al10 cuboctahedra. There are six shorter (2.70 Å) and six longer (2.91 Å) Ta–Al bond lengths. In the second Ta site, Ta is bonded in a distorted q6 geometry to two equivalent U and ten Al atoms. There are a spread of Ta–Al bond distances ranging from 2.66–2.76 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one U, two Ta, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–3.10 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, one Ta, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–3.04 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.78–3.05 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, one Ta, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–3.05 Å. In the fifth Al site, Al is bonded in a 1-coordinate geometry to two equivalent U, one Ta, and seven Al atoms. There are two shorter (2.81 Å) and one longer (2.86 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded to two equivalent Ta and ten Al atoms to form distorted AlTa2Al10 cuboctahedra that share corners with four equivalent AlU3Al9 cuboctahedra, edges with two equivalent TaAl12 cuboctahedra, and faces with two equivalent AlTa2Al10 cuboctahedra. Both Al–Al bond lengths are 2.82 Å. In the seventh Al site, Al is bonded to three equivalent U and nine Al atoms to form AlU3Al9 cuboctahedra that share corners with six AlTa2Al10 cuboctahedra and faces with two equivalent AlU3Al9 cuboctahedra.
DOI: 10.17188/1739361
title: Materials Data on Li7Mn4CoO12 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: 10.17188/1739362
title: Materials Data on DyV2Fe10N by Materials Project

description: DyV2Fe10N crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a linear geometry to two equivalent V, ten Fe, and two equivalent N atoms. Both Dy–V bond lengths are 3.08 Å. There are two shorter (3.07 Å) and eight longer (3.25 Å) Dy–Fe bond lengths. Both Dy–N bond lengths are 2.37 Å. V is bonded in a 10-coordinate geometry to one Dy, one V, and twelve Fe atoms. The V–V bond length is 2.43 Å. There are a spread of V–Fe bond distances ranging from 2.61–2.92 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.46 Å) and two longer (2.64 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.91 Å. In the second Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.45 Å) and two longer (2.66 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.91 Å. In the third Fe site, Fe is bonded to two equivalent Dy, two equivalent V, and eight Fe atoms to form distorted FeDy2V2Fe8 cuboctahedra that share corners with ten equivalent FeDy2V2Fe8 cuboctahedra, corners with two equivalent NDy2Fe4 octahedra, edges with four equivalent FeDy2V2Fe8 cuboctahedra, faces with six equivalent FeDy2V2Fe8 cuboctahedra, and faces with two equivalent NDy2Fe4 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.37 Å) and two longer (2.62 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Dy, four equivalent V, and nine Fe atoms. The Fe–Fe bond length is 2.38 Å. N is bonded to two equivalent Dy and four Fe atoms to form NDy2Fe4 octahedra that share corners with eight equivalent FeDy2V2Fe8 cuboctahedra, corners with two equivalent NDy2Fe4 octahedra, and faces with eight equivalent FeDy2V2Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1739363
title: Materials Data on Li3V(SiO3)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: 10.17188/1739364
title: Materials Data on Dy2Mn12P7 by Materials Project

description: Dy2Mn12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent P atoms. All Dy–P bond lengths are 2.85 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent P atoms. All Dy–P bond lengths are 2.85 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.33–2.38 Å. In the second Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.24–2.30 Å. In the third Mn site, Mn is bonded to four P atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.31–2.35 Å. In the fourth Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances ranging from 2.44–2.57 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Mn atoms. In the third P site, P is bonded in a 3-coordinate geometry to nine Mn atoms.
DOI: 10.17188/1739365
title: Materials Data on Fe(NF2)3 by Materials Project

description: FeF3(NF)3 is alpha bismuth trifluoride structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ferric fluoride molecule and three monofluoroamine molecules.
DOI: 10.17188/1739366
title: Materials Data on Th(BO2)4 by Materials Project

description: Th(BO2)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Th–O bond distances ranging from 2.40–2.90 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.53 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.53 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Th4+ and one B3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three B3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Th4+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Th4+ and two B3+ atoms.
DOI: 10.17188/1739367
title: Materials Data on LaSbSe3 by Materials Project

description: LaSbSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.06–3.58 Å. Sb3+ is bonded to six Se2- atoms to form distorted edge-sharing SbSe6 octahedra. There are a spread of Sb–Se bond distances ranging from 2.62–3.29 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent La3+ and one Sb3+ atom. In the second Se2- site, Se2- is bonded to three equivalent La3+ and two equivalent Sb3+ atoms to form distorted edge-sharing SeLa3Sb2 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent La3+ and three equivalent Sb3+ atoms.
DOI: 10.17188/1739368
title: Materials Data on Ho2MgOs by Materials Project

description: MgHo2Os is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Ho and six equivalent Os atoms. All Mg–Ho bond lengths are 3.05 Å. All Mg–Os bond lengths are 3.52 Å. Ho is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Os atoms. All Ho–Os bond lengths are 3.05 Å. Os is bonded in a body-centered cubic geometry to six equivalent Mg and eight equivalent Ho atoms.
DOI: 10.17188/1739369
title: Materials Data on Tl2Cr2O7 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: 10.17188/1739370
title: Materials Data on TbCrGeO5 by Materials Project

description: TbCrGeO5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.31–2.55 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent GeO5 square pyramids and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.98–2.03 Å. Ge4+ is bonded to five O2- atoms to form distorted GeO5 square pyramids that share corners with four equivalent CrO6 octahedra and an edgeedge with one GeO5 square pyramid. The corner-sharing octahedra tilt angles range from 48–54°. There are a spread of Ge–O bond distances ranging from 1.77–1.94 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+, one Cr3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Cr3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Cr3+ atoms to form a mixture of distorted edge and corner-sharing OTb2Cr2 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1739372
title: Materials Data on Lu2MnSe4 by Materials Project

description: Lu2MnSe4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent Se2- atoms to form LuSe6 octahedra that share corners with six equivalent MnSe4 tetrahedra and edges with six equivalent LuSe6 octahedra. All Lu–Se bond lengths are 2.81 Å. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with twelve equivalent LuSe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mn–Se bond lengths are 2.56 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Lu3+ and one Mn2+ atom.
DOI: 10.17188/1739374
title: Materials Data on Li24Mn5Cr7O36 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: 10.17188/1739375
title: Materials Data on LuF3 by Materials Project

description: LuF3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Lu–F bond distances ranging from 2.23–2.45 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Lu3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Lu3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Lu3+ atoms.
DOI: 10.17188/1739376
title: Materials Data on Mg2P by Materials Project

description: Mg2P is Cuprite structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Mg is bonded in a linear geometry to two equivalent P atoms. Both Mg–P bond lengths are 2.45 Å. P is bonded to four equivalent Mg atoms to form corner-sharing PMg4 tetrahedra.
DOI: 10.17188/1739377
title: Materials Data on LiFe2OF5 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: 10.17188/1739378
title: Materials Data on KCOF3 by Materials Project

description: KCOF3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to three equivalent O2- and seven F1- atoms. There are a spread of K–O bond distances ranging from 2.82–2.99 Å. There are a spread of K–F bond distances ranging from 2.83–3.18 Å. C4+ is bonded in a tetrahedral geometry to one O2- and three F1- atoms. The C–O bond length is 1.23 Å. There are a spread of C–F bond distances ranging from 1.42–1.48 Å. O2- is bonded in a single-bond geometry to three equivalent K1+ and one C4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to three equivalent K1+ and one C4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one K1+ and one C4+ atom.
DOI: 10.17188/1739379
title: Materials Data on Li(Mo3Se4)2 by Materials Project

description: Li1Mo6Se8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded in a distorted body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.57 Å) and six longer (3.26 Å) Li–Se bond lengths. Mo+2.50+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.69 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Li1+ and three equivalent Mo+2.50+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Li1+ and four equivalent Mo+2.50+ atoms.
DOI: 10.17188/1739380
title: Materials Data on SrRuO3 by Materials Project

description: SrRuO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.59 Å. Ru4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are two shorter (1.95 Å) and four longer (2.08 Å) Ru–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded to three equivalent Sr2+ and two equivalent Ru4+ atoms to form a mixture of distorted corner and edge-sharing OSr3Ru2 square pyramids.
DOI: 10.17188/1739381
title: Materials Data on Ba3NiSb2O9 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: 10.17188/1739382
title: Materials Data on Mg3(InN2)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: 10.17188/1739384
title: Materials Data on Th3Pd4 by Materials Project

description: Th3Pd4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Th–Pd bond distances ranging from 2.90–3.42 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to six equivalent Th and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.92 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Th and two equivalent Pd atoms. In the third Pd site, Pd is bonded in a 10-coordinate geometry to seven equivalent Th and three equivalent Pd atoms. There are one shorter (2.96 Å) and two longer (3.03 Å) Pd–Pd bond lengths.
DOI: 10.17188/1739385
title: Materials Data on Li3MnCu3O8 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: 10.17188/1739386
title: Materials Data on Li2V3SnO8 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: 10.17188/1739387
title: Materials Data on NaSbMoO5 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: 10.17188/1739388
title: Materials Data on Sr2CrOsO6 by Materials Project

description: Sr2CrOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent CrO6 octahedra, and faces with four equivalent OsO6 octahedra. All Sr–O bond lengths are 2.80 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 2.00 Å. Os5+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.97 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Cr3+, and one Os5+ atom.
DOI: 10.17188/1739389
title: Materials Data on H4C2NO2 by Materials Project

description: CNH4CO2 is Magnesium tetraboride-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four ammonium molecules, two ethyne molecules, and four formic acid molecules.
DOI: 10.17188/1739390
title: Materials Data on HfTaOs2 by Materials Project

description: HfTaOs2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfTaOs2 ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to two equivalent Os atoms. Both Hf–Os bond lengths are 2.43 Å. Ta is bonded in a linear geometry to two equivalent Os atoms. Both Ta–Os bond lengths are 2.30 Å. Os is bonded in a linear geometry to one Hf and one Ta atom.
DOI: 10.17188/1739391
title: Materials Data on Sm23Mg4Pt7 by Materials Project

description: Mg4Sm23Pt7 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to three equivalent Mg and nine Sm atoms to form face-sharing MgSm9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.17 Å. There are a spread of Mg–Sm bond distances ranging from 3.43–3.65 Å. In the second Mg site, Mg is bonded to three Mg and nine Sm atoms to form a mixture of corner and face-sharing MgSm9Mg3 cuboctahedra. Both Mg–Mg bond lengths are 3.20 Å. There are a spread of Mg–Sm bond distances ranging from 3.40–3.68 Å. There are nine inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two Mg and two equivalent Pt atoms. Both Sm–Pt bond lengths are 2.91 Å. In the second Sm site, Sm is bonded in a distorted T-shaped geometry to two equivalent Sm and three Pt atoms. Both Sm–Sm bond lengths are 3.77 Å. There are two shorter (2.94 Å) and one longer (3.02 Å) Sm–Pt bond lengths. In the third Sm site, Sm is bonded in a bent 150 degrees geometry to two equivalent Mg, two equivalent Sm, and two Pt atoms. Both Sm–Sm bond lengths are 3.77 Å. There are one shorter (2.90 Å) and one longer (2.92 Å) Sm–Pt bond lengths. In the fourth Sm site, Sm is bonded in a 3-coordinate geometry to three Mg and three Pt atoms. All Sm–Pt bond lengths are 2.91 Å. In the fifth Sm site, Sm is bonded in a 3-coordinate geometry to one Mg, eleven Sm, and two equivalent Pt atoms. There are a spread of Sm–Sm bond distances ranging from 3.58–4.03 Å. Both Sm–Pt bond lengths are 3.67 Å. In the sixth Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Sm and three equivalent Pt atoms. All Sm–Pt bond lengths are 2.94 Å. In the seventh Sm site, Sm is bonded in a distorted water-like geometry to one Mg, one Sm, and four Pt atoms. There are two shorter (2.87 Å) and two longer (3.57 Å) Sm–Pt bond lengths. In the eighth Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Mg, two equivalent Sm, and two Pt atoms. There are one shorter (3.51 Å) and one longer (3.66 Å) Sm–Pt bond lengths. In the ninth Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Sm, and three equivalent Pt atoms. All Sm–Pt bond lengths are 2.91 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to nine Sm atoms. In the second Pt site, Pt is bonded in a 6-coordinate geometry to eight Sm atoms. In the third Pt site, Pt is bonded in a 6-coordinate geometry to nine Sm atoms.