cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1279297
title: Materials Data on HBr by Materials Project

description: HBr is alpha carbon monoxide-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules. H1+ is bonded in a single-bond geometry to one Br1- atom. The H–Br bond length is 1.47 Å. Br1- is bonded in a single-bond geometry to one H1+ atom.
DOI: 10.17188/1279298
title: Materials Data on H2 by Materials Project

description: H2 is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of two hydrogen molecules. H is bonded in a 1-coordinate geometry to atoms.
DOI: 10.17188/1279299
title: Materials Data on NaHF2 by Materials Project

description: NaHF2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a 2-coordinate geometry to two equivalent H1+ and eight F1- atoms. There are one shorter (2.23 Å) and one longer (2.24 Å) Na–H bond lengths. There are a spread of Na–F bond distances ranging from 2.08–2.82 Å. H1+ is bonded in a distorted bent 150 degrees geometry to two equivalent Na1+ and two F1- atoms. Both H–F bond lengths are 1.13 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one H1+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one H1+ atom.
DOI: 10.17188/1279300
title: Materials Data on Sb by Materials Project

description: Sb is beta Polonium-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sb is bonded to six equivalent Sb atoms to form a mixture of edge and corner-sharing SbSb6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. There are a spread of Sb–Sb bond distances ranging from 3.00–3.22 Å.
DOI: 10.17188/1279301
title: Materials Data on H2 by Materials Project

description: H2 is alpha oxygen structured and crystallizes in the tetragonal I4/mmm space group. The structure is zero-dimensional and consists of two dihydrogen molecules. H is bonded in a single-bond geometry to one H atom. The H–H bond length is 0.75 Å.
DOI: 10.17188/1279302
title: Materials Data on HF by Materials Project

description: HF is alpha carbon monoxide-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four hydrofluoric acid molecules. H1+ is bonded in a single-bond geometry to one F1- atom. The H–F bond length is 0.95 Å. F1- is bonded in a single-bond geometry to one H1+ atom.
DOI: 10.17188/1279303
title: Materials Data on BaYb2CuO5 by Materials Project

description: Yb2BaCuO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.65–3.18 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to seven O2- atoms to form distorted YbO7 pentagonal bipyramids that share corners with five equivalent CuO5 square pyramids, edges with two equivalent YbO7 pentagonal bipyramids, and an edgeedge with one CuO5 square pyramid. There are a spread of Yb–O bond distances ranging from 2.34–2.47 Å. In the second Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.33–2.36 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with five equivalent YbO7 pentagonal bipyramids and an edgeedge with one YbO7 pentagonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.89–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ba2+, two Yb3+, and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OBa3Yb2Cu octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three Yb3+, and one Cu2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, three Yb3+, and one Cu2+ atom.
DOI: 10.17188/1279304
title: Materials Data on Ta2H by Materials Project

description: Ta2H crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ta2H sheet oriented in the (0, 0, 1) direction. Ta is bonded in a bent 120 degrees geometry to two equivalent H atoms. Both Ta–H bond lengths are 1.91 Å. H is bonded to four equivalent Ta atoms to form corner-sharing HTa4 tetrahedra.
DOI: 10.17188/1279305
title: Materials Data on CsH by Materials Project

description: HCs is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Cs–H bond lengths are 3.34 Å. H1- is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms.
DOI: 10.17188/1279306
title: Materials Data on HCl by Materials Project

description: HCl is alpha carbon monoxide-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules. H1+ is bonded in a single-bond geometry to one Cl1- atom. The H–Cl bond length is 1.30 Å. Cl1- is bonded in a single-bond geometry to one H1+ atom.
DOI: 10.17188/1279307
title: Materials Data on C by Materials Project

description: C is Graphite-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one C sheet oriented in the (0, 0, 1) direction. C is bonded in a trigonal planar geometry to three equivalent C atoms. There is one shorter (1.42 Å) and two longer (1.43 Å) C–C bond length.
DOI: 10.17188/1279308
title: Materials Data on YbHO2 by Materials Project

description: YbOOH crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Yb3+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing YbO7 hexagonal pyramids. There are a spread of Yb–O bond distances ranging from 2.34–2.37 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Yb3+ atoms to form a mixture of corner and edge-sharing OYb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Yb3+ and one H1+ atom.
DOI: 10.17188/1279309
title: Materials Data on NaH2N (SG:70) 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: 10.17188/1279310
title: Materials Data on B by Materials Project

description: B crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.65–2.04 Å. In the second B site, B is bonded in a 5-coordinate geometry to five B atoms. There are a spread of B–B bond distances ranging from 1.70–1.75 Å. In the third B site, B is bonded in a 8-coordinate geometry to eight B atoms. There are a spread of B–B bond distances ranging from 1.77–2.07 Å. In the fourth B site, B is bonded in a 5-coordinate geometry to five B atoms. There are a spread of B–B bond distances ranging from 1.65–1.99 Å. In the fifth B site, B is bonded in a 8-coordinate geometry to eight B atoms. There are a spread of B–B bond distances ranging from 1.66–2.15 Å. In the sixth B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.77–2.08 Å. In the seventh B site, B is bonded in a 7-coordinate geometry to seven B atoms. The B–B bond length is 1.67 Å. In the eighth B site, B is bonded in a 4-coordinate geometry to six B atoms. There is two shorter (1.68 Å) and one longer (2.18 Å) B–B bond length. In the ninth B site, B is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of B–B bond distances ranging from 1.69–1.91 Å. In the tenth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.84 Å) and one longer (1.88 Å) B–B bond length. In the eleventh B site, B is bonded in a distorted trigonal planar geometry to four B atoms. In the twelfth B site, B is bonded in a 2-coordinate geometry to eight B atoms.
DOI: 10.17188/1279311
title: Materials Data on LiCaUF8 by Materials Project

description: LiCaUF8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded in a distorted tetrahedral geometry to four equivalent F1- atoms. All Li–F bond lengths are 1.95 Å. Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.35 Å) and four longer (2.42 Å) Ca–F bond lengths. U5+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.18 Å) and four longer (2.25 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Ca2+, and one U5+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Ca2+ and one U5+ atom.
DOI: 10.17188/1279312
title: Materials Data on CdCl2 by Materials Project

description: CdCl2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one CdCl2 sheet oriented in the (0, 0, 1) direction. Cd2+ is bonded to four Cl1- atoms to form corner-sharing CdCl4 tetrahedra. There are a spread of Cd–Cl bond distances ranging from 2.50–2.52 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Cd2+ atoms.
DOI: 10.17188/1279313
title: Materials Data on CoCl2 by Materials Project

description: CoCl2 is trigonal omega structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one CoCl2 sheet oriented in the (0, 0, 1) direction. Co2+ is bonded to six equivalent Cl1- atoms to form edge-sharing CoCl6 octahedra. There are two shorter (2.40 Å) and four longer (2.46 Å) Co–Cl bond lengths. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Co2+ atoms.
DOI: 10.17188/1279314
title: Materials Data on LiHO2 by Materials Project

description: LiHO2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two LiHO2 ribbons oriented in the (0, 0, 1) direction. Li is bonded to four O atoms to form a mixture of edge and corner-sharing LiO4 trigonal pyramids. There is two shorter (1.97 Å) and two longer (1.99 Å) Li–O bond length. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Li and one H atom. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Li atoms.
DOI: 10.17188/1279315
title: Materials Data on Al4C3 by Materials Project

description: Al4C3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a 5-coordinate geometry to five C4- atoms. There are a spread of Al–C bond distances ranging from 1.98–2.20 Å. In the second Al3+ site, Al3+ is bonded in a 4-coordinate geometry to four C4- atoms. There are a spread of Al–C bond distances ranging from 2.00–2.33 Å. In the third Al3+ site, Al3+ is bonded in a distorted see-saw-like geometry to four C4- atoms. There are a spread of Al–C bond distances ranging from 2.01–2.23 Å. In the fourth Al3+ site, Al3+ is bonded in a distorted trigonal non-coplanar geometry to three C4- atoms. There are one shorter (2.01 Å) and two longer (2.10 Å) Al–C bond lengths. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded to five Al3+ atoms to form corner-sharing CAl5 trigonal bipyramids. In the second C4- site, C4- is bonded in a 6-coordinate geometry to five Al3+ and one C4- atom. The C–C bond length is 1.75 Å. In the third C4- site, C4- is bonded in a 7-coordinate geometry to six Al3+ and one C4- atom.
DOI: 10.17188/1279316
title: Materials Data on NbS2 by Materials Project

description: NbS2 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two NbS2 sheets oriented in the (0, 1, 0) direction. Nb4+ is bonded in a 6-coordinate geometry to six S2- atoms. There are two shorter (2.41 Å) and four longer (2.57 Å) Nb–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Nb4+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Nb4+ atoms.
DOI: 10.17188/1279317
title: Materials Data on Ag3SI by Materials Project

description: Ag3SI is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent S2- and four equivalent I1- atoms. There are one shorter (2.57 Å) and one longer (2.59 Å) Ag–S bond lengths. There are a spread of Ag–I bond distances ranging from 3.28–3.63 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. Both Ag–S bond lengths are 2.61 Å. There are one shorter (2.98 Å) and one longer (3.13 Å) Ag–I bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two equivalent S2- and three equivalent I1- atoms. There are one shorter (2.54 Å) and one longer (2.56 Å) Ag–S bond lengths. There are a spread of Ag–I bond distances ranging from 2.98–3.64 Å. S2- is bonded in a 6-coordinate geometry to six Ag1+ atoms. I1- is bonded in a 9-coordinate geometry to nine Ag1+ atoms.
DOI: 10.17188/1279318
title: Materials Data on Bi2Te2S by Materials Project

description: Bi2Te2S crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Bi3+ is bonded in a distorted single-bond geometry to five equivalent Te2- and one S2- atom. There are a spread of Bi–Te bond distances ranging from 3.17–3.45 Å. The Bi–S bond length is 2.53 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent Bi3+ atoms. S2- is bonded in a linear geometry to two equivalent Bi3+ atoms.
DOI: 10.17188/1279319
title: Materials Data on Eu2SnS4 by Materials Project

description: Eu2SnS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded to seven S2- atoms to form distorted EuS7 pentagonal bipyramids that share corners with six equivalent EuS7 pentagonal bipyramids, corners with three equivalent SnS4 tetrahedra, edges with three equivalent EuS7 pentagonal bipyramids, edges with two equivalent SnS4 tetrahedra, and faces with two equivalent EuS7 pentagonal bipyramids. There are a spread of Eu–S bond distances ranging from 2.96–3.09 Å. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with six equivalent EuS7 pentagonal bipyramids and edges with four equivalent EuS7 pentagonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.45–2.48 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Eu2+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing SEu4Sn trigonal bipyramids. In the second S2- site, S2- is bonded to four equivalent Eu2+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing SEu4Sn trigonal bipyramids. In the third S2- site, S2- is bonded in a see-saw-like geometry to three equivalent Eu2+ and one Sn4+ atom.
DOI: 10.17188/1279320
title: Materials Data on Li(NiO2)2 (SG:227) 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: 10.17188/1279321
title: Materials Data on Ba3MgTa2O9 by Materials Project

description: Ba3MgTa2O9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, faces with three equivalent MgO6 octahedra, and faces with five equivalent TaO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.92–2.94 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with two equivalent MgO6 octahedra, and faces with six equivalent TaO6 octahedra. There are six shorter (2.91 Å) and six longer (2.92 Å) Ba–O bond lengths. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. All Mg–O bond lengths are 2.15 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with three equivalent MgO6 octahedra, corners with three equivalent TaO6 octahedra, and faces with eight BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are three shorter (1.95 Å) and three longer (2.11 Å) Ta–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Mg2+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1279322
title: Materials Data on Zr2InNi2 by Materials Project

description: Zr2Ni2In crystallizes in the tetragonal P4_2/mnm 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 Ni and four equivalent In atoms. There are four shorter (2.70 Å) and two longer (2.71 Å) Zr–Ni bond lengths. All Zr–In bond lengths are 3.15 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.68 Å) and four longer (2.75 Å) Zr–Ni bond lengths. All Zr–In bond lengths are 3.19 Å. Ni is bonded in a 6-coordinate geometry to six Zr, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.56 Å. Both Ni–In bond lengths are 2.86 Å. In is bonded to eight Zr and four equivalent Ni atoms to form a mixture of distorted corner and face-sharing InZr8Ni4 cuboctahedra.
DOI: 10.17188/1279323
title: Materials Data on Yb2S3 by Materials Project

description: Yb2S3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Yb–S bond distances ranging from 2.75–2.91 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five equivalent Yb3+ and one S2- atom. The S–S bond length is 2.47 Å. In the second S2- site, S2- is bonded in a distorted linear geometry to two equivalent Yb3+ and two equivalent S2- atoms.
DOI: 10.17188/1279324
title: Materials Data on TlInS2 by Materials Project

description: TlInS2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.03–3.91 Å. In3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of In–S bond distances ranging from 2.78–2.90 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Tl1+, two equivalent In3+, and two equivalent S2- atoms. There are one shorter (2.10 Å) and one longer (3.15 Å) S–S bond lengths. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Tl1+, one In3+, and two equivalent S2- atoms.
DOI: 10.17188/1279325
title: Materials Data on FeO2 (SG:227) 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: 10.17188/1279326
title: Materials Data on LiAlSiO4 by Materials Project

description: LiAlSiO4 crystallizes in the hexagonal P6_422 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.06 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.02 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.04 Å) Li–O bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.76 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. All Al–O bond lengths are 1.75 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Al3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Al3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Al3+, and one Si4+ atom.
DOI: 10.17188/1279327
title: Materials Data on MnIn2W by Materials Project

description: WMnIn2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. W is bonded in a distorted body-centered cubic geometry to four equivalent Mn and ten In atoms. There are three shorter (2.86 Å) and one longer (2.88 Å) W–Mn bond lengths. There are a spread of W–In bond distances ranging from 2.86–3.33 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent W and four equivalent In atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Mn–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent W and four equivalent In atoms to form distorted edge-sharing InIn4W4 tetrahedra. There are two shorter (2.86 Å) and two longer (2.87 Å) In–In bond lengths. In the second In site, In is bonded in a 4-coordinate geometry to six equivalent W, four equivalent Mn, and four equivalent In atoms.