cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1732594
title: Materials Data on BaU2S5 by Materials Project

description: BaU2S5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ba–S bond distances ranging from 2.95–3.10 Å. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.62–3.28 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to one Ba2+ and four equivalent U4+ atoms to form distorted SBaU4 square pyramids that share corners with eight SBaU4 square pyramids, corners with four equivalent SBa2U2 tetrahedra, an edgeedge with one SBaU4 square pyramid, edges with four equivalent SBa2U2 tetrahedra, and a faceface with one SBaU4 square pyramid. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Ba2+ and four equivalent U4+ atoms. In the third S2- site, S2- is bonded to one Ba2+ and four equivalent U4+ atoms to form distorted SBaU4 square pyramids that share corners with four equivalent SBaU4 square pyramids, corners with eight equivalent SBa2U2 tetrahedra, edges with three SBaU4 square pyramids, edges with two equivalent SBa2U2 tetrahedra, and a faceface with one SBaU4 square pyramid. In the fourth S2- site, S2- is bonded to two equivalent Ba2+ and two equivalent U4+ atoms to form distorted SBa2U2 tetrahedra that share corners with six SBaU4 square pyramids, corners with six equivalent SBa2U2 tetrahedra, edges with three SBaU4 square pyramids, and an edgeedge with one SBa2U2 tetrahedra.
DOI: 10.17188/1732595
title: Materials Data on EuBrCl by Materials Project

description: EuBrCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to four equivalent Br1- and four equivalent Cl1- atoms. There are two shorter (3.15 Å) and two longer (3.25 Å) Eu–Br bond lengths. There are a spread of Eu–Cl bond distances ranging from 2.96–3.08 Å. Br1- is bonded in a 4-coordinate geometry to four equivalent Eu2+ atoms. Cl1- is bonded to four equivalent Eu2+ atoms to form a mixture of distorted corner and edge-sharing ClEu4 tetrahedra.
DOI: 10.17188/1732596
title: Materials Data on KRb2NbF6 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: 10.17188/1732597
title: Materials Data on BaYbCo4O7 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: 10.17188/1732598
title: Materials Data on Li3Co2(CO3)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: 10.17188/1732599
title: Materials Data on Ho6MnTe2 by Materials Project

description: Ho6MnTe2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to one Mn and four equivalent Te atoms. The Ho–Mn bond length is 3.25 Å. All Ho–Te bond lengths are 3.26 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to one Mn and four equivalent Te atoms. The Ho–Mn bond length is 3.26 Å. All Ho–Te bond lengths are 3.26 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Mn and two equivalent Te atoms. Both Ho–Mn bond lengths are 2.83 Å. Both Ho–Te bond lengths are 3.22 Å. In the fourth Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Mn and two equivalent Te atoms. Both Ho–Mn bond lengths are 2.83 Å. Both Ho–Te bond lengths are 3.22 Å. Mn is bonded in a 9-coordinate geometry to nine Ho atoms. Te is bonded in a 9-coordinate geometry to nine Ho atoms.
DOI: 10.17188/1732600
title: Materials Data on V3FeO8 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: 10.17188/1732602
title: Materials Data on YAsSe by Materials Project

description: YAsSe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. There are a spread of Y–As bond distances ranging from 3.07–3.20 Å. There are a spread of Y–Se bond distances ranging from 2.90–3.06 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent As1- atoms. There are a spread of As–As bond distances ranging from 2.57–3.00 Å. Se2- is bonded in a 5-coordinate geometry to five equivalent Y3+ atoms.
DOI: 10.17188/1732603
title: Materials Data on Li2VFeP2(HO5)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: 10.17188/1732604
title: Materials Data on PrSiGe by Materials Project

description: PrGeSi is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded to six equivalent Ge and six equivalent Si atoms to form a mixture of edge and face-sharing PrSi6Ge6 cuboctahedra. There are four shorter (3.23 Å) and two longer (3.45 Å) Pr–Ge bond lengths. There are four shorter (3.21 Å) and two longer (3.22 Å) Pr–Si bond lengths. Ge is bonded in a 9-coordinate geometry to six equivalent Pr, two equivalent Ge, and one Si atom. Both Ge–Ge bond lengths are 2.58 Å. The Ge–Si bond length is 2.53 Å. Si is bonded in a 9-coordinate geometry to six equivalent Pr, one Ge, and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å.
DOI: 10.17188/1732605
title: Materials Data on CsLaO2 by Materials Project

description: CsLaO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.17 Å. La3+ is bonded to six equivalent O2- atoms to form edge-sharing LaO6 octahedra. All La–O bond lengths are 2.49 Å. O2- is bonded to three equivalent Cs1+ and three equivalent La3+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs3La3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.
DOI: 10.17188/1732606
title: Materials Data on Li4Mn3SbO8 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: 10.17188/1732607
title: Materials Data on Li3CeGa8 by Materials Project

description: Li3CeGa8 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Li is bonded to two equivalent Li and twelve Ga atoms to form a mixture of distorted face, edge, and corner-sharing LiLi2Ga12 cuboctahedra. Both Li–Li bond lengths are 3.04 Å. There are eight shorter (3.01 Å) and four longer (3.05 Å) Li–Ga bond lengths. Ce is bonded in a 12-coordinate geometry to two equivalent Ce and twelve equivalent Ga atoms. Both Ce–Ce bond lengths are 3.04 Å. All Ce–Ga bond lengths are 3.14 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to six equivalent Li and five Ga atoms. There are three shorter (2.55 Å) and two longer (3.04 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to four equivalent Li, two equivalent Ce, and five Ga atoms. There are two shorter (2.74 Å) and two longer (3.04 Å) Ga–Ga bond lengths.
DOI: 10.17188/1732608
title: Materials Data on PrTl(PSe3)2 by Materials Project

description: PrTl(PSe3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Pr–Se bond distances ranging from 3.10–3.46 Å. Tl1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.33–3.78 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.21 Å) and two longer (2.23 Å) P–Se bond lengths. In the second P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.19–2.22 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to two equivalent Pr3+, one Tl1+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a distorted single-bond geometry to one Pr3+, two equivalent Tl1+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to one Pr3+, two equivalent Tl1+, and one P4+ atom. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Pr3+, one Tl1+, and one P4+ atom. In the fifth Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Pr3+ and one P4+ atom. In the sixth Se2- site, Se2- is bonded in a 4-coordinate geometry to one Pr3+, two equivalent Tl1+, and one P4+ atom.
DOI: 10.17188/1732609
title: Materials Data on Al4Ni12C by Materials Project

description: Ni12Al4C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a single-bond geometry to four equivalent Ni, four equivalent Al, and one C atom. All Ni–Ni bond lengths are 2.52 Å. All Ni–Al bond lengths are 2.60 Å. The Ni–C bond length is 1.85 Å. In the second Ni site, Ni is bonded to eight Ni and four equivalent Al atoms to form NiAl4Ni8 cuboctahedra that share corners with eight equivalent NiAl4Ni8 cuboctahedra, edges with eight AlNi12 cuboctahedra, edges with sixteen NiAl4Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with thirteen NiAl4Ni8 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.54 Å) Ni–Ni bond lengths. All Ni–Al bond lengths are 2.60 Å. In the third Ni site, Ni is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Ni–Al bond lengths are 2.67 Å. Both Ni–C bond lengths are 1.84 Å. In the fourth Ni site, Ni is bonded to eight Ni and four Al atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with eight NiAl4Ni8 cuboctahedra, corners with two equivalent CNi6 octahedra, edges with eight NiAl4Ni8 cuboctahedra, edges with eight AlNi12 cuboctahedra, faces with four AlNi12 cuboctahedra, and faces with eleven NiAl4Ni8 cuboctahedra. The corner-sharing octahedral tilt angles are 47°. All Ni–Ni bond lengths are 2.60 Å. There are two shorter (2.46 Å) and two longer (2.53 Å) Ni–Al bond lengths. In the fifth Ni site, Ni is bonded to eight Ni and four equivalent Al atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with twelve NiAl4Ni8 cuboctahedra, edges with eight equivalent AlNi12 cuboctahedra, edges with sixteen NiAl4Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with fourteen NiAl4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.60 Å. All Ni–Al bond lengths are 2.51 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to twelve Ni atoms to form AlNi12 cuboctahedra that share corners with twelve AlNi12 cuboctahedra, edges with twelve NiAl4Ni8 cuboctahedra, faces with four equivalent NiAl4Ni8 cuboctahedra, faces with six AlNi12 cuboctahedra, and faces with four equivalent CNi6 octahedra. In the second Al site, Al is bonded to twelve Ni atoms to form AlNi12 cuboctahedra that share corners with twelve AlNi12 cuboctahedra, edges with twenty NiAl4Ni8 cuboctahedra, faces with six AlNi12 cuboctahedra, and faces with twelve NiAl4Ni8 cuboctahedra. C is bonded to six Ni atoms to form CNi6 octahedra that share corners with eight equivalent NiAl4Ni8 cuboctahedra, corners with four equivalent CNi6 octahedra, and faces with eight equivalent AlNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1732610
title: Materials Data on Na2TlCoF6 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: 10.17188/1732611
title: Materials Data on Ba3HoIrRuO9 by Materials Project

description: Ba3HoRuIrO9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three 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 two equivalent HoO6 octahedra, faces with three equivalent RuO6 octahedra, and faces with three equivalent IrO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.97–3.01 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent IrO6 octahedra, faces with seven BaO12 cuboctahedra, a faceface with one IrO6 octahedra, faces with three equivalent HoO6 octahedra, and faces with three equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Ba–O bond distances ranging from 2.93–3.08 Å. In the third Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent RuO6 octahedra, faces with seven BaO12 cuboctahedra, a faceface with one RuO6 octahedra, faces with three equivalent HoO6 octahedra, and faces with three equivalent IrO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Ba–O bond distances ranging from 2.93–3.13 Å. Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with three equivalent RuO6 octahedra, corners with three equivalent IrO6 octahedra, and faces with eight BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are three shorter (2.19 Å) and three longer (2.23 Å) Ho–O bond lengths. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent HoO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (1.96 Å) and three longer (2.05 Å) Ru–O bond lengths. Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent HoO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one RuO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (1.99 Å) and three longer (2.05 Å) Ir–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Ho3+, and one Ru5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Ho3+, and one Ir4+ atom. In the third O2- site, O2- is bonded to four Ba2+, one Ru5+, and one Ir4+ atom to form a mixture of distorted face and corner-sharing OBa4IrRu octahedra. The corner-sharing octahedra tilt angles range from 4–60°.
DOI: 10.17188/1732612
title: Materials Data on MgAl2 by Materials Project

description: MgAl2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Mg and twelve Al atoms. There are one shorter (3.23 Å) and three longer (3.36 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 3.14–3.22 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Mg and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlMg6Al6 cuboctahedra. All Al–Al bond lengths are 2.71 Å. In the second Al site, Al is bonded to six equivalent Mg and six Al atoms to form a mixture of face, edge, and corner-sharing AlMg6Al6 cuboctahedra. There are two shorter (2.68 Å) and two longer (2.81 Å) Al–Al bond lengths.
DOI: 10.17188/1732613
title: Materials Data on GdInO3 by Materials Project

description: GdInO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.37–2.61 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share corners with three equivalent InO5 trigonal bipyramids and edges with three equivalent InO5 trigonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.34–2.49 Å. In3+ is bonded to five O2- atoms to form InO5 trigonal bipyramids that share a cornercorner with one GdO7 pentagonal bipyramid, corners with six equivalent InO5 trigonal bipyramids, and an edgeedge with one GdO7 pentagonal bipyramid. There are a spread of In–O bond distances ranging from 2.11–2.17 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Gd3+ and one In3+ atom to form OGd3In tetrahedra that share corners with ten OGd3In tetrahedra, corners with two equivalent OGdIn3 trigonal pyramids, edges with three equivalent OGd3In tetrahedra, and edges with two equivalent OGdIn3 trigonal pyramids. In the second O2- site, O2- is bonded to three Gd3+ and one In3+ atom to form distorted OGd3In tetrahedra that share corners with ten OGd3In tetrahedra, corners with four equivalent OGdIn3 trigonal pyramids, edges with three equivalent OGd3In tetrahedra, and an edgeedge with one OGdIn3 trigonal pyramid. In the third O2- site, O2- is bonded to one Gd3+ and three equivalent In3+ atoms to form distorted OGdIn3 trigonal pyramids that share corners with six equivalent OGd3In tetrahedra, corners with six equivalent OGdIn3 trigonal pyramids, and edges with three equivalent OGd3In tetrahedra. In the fourth O2- site, O2- is bonded to one Gd3+ and three equivalent In3+ atoms to form distorted OGdIn3 trigonal pyramids that share corners with six equivalent OGd3In tetrahedra, corners with six OGdIn3 trigonal pyramids, and edges with three equivalent OGd3In tetrahedra.
DOI: 10.17188/1732614
title: Materials Data on Rb2CaV2O7 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: 10.17188/1732615
title: Materials Data on Ba5(In2Sb3)2 by Materials Project

description: Ba5(In2Sb3)2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are five inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to six Sb3- atoms to form a mixture of edge and corner-sharing BaSb6 octahedra. There are a spread of Ba–Sb bond distances ranging from 3.51–3.69 Å. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six Sb3- atoms. There are a spread of Ba–Sb bond distances ranging from 3.63–3.90 Å. In the third Ba2+ site, Ba2+ is bonded to six Sb3- atoms to form a mixture of edge, corner, and face-sharing BaSb6 octahedra. There are a spread of Ba–Sb bond distances ranging from 3.57–3.63 Å. In the fourth Ba2+ site, Ba2+ is bonded to six Sb3- atoms to form a mixture of distorted edge and corner-sharing BaSb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 4–5°. There are four shorter (3.69 Å) and two longer (3.71 Å) Ba–Sb bond lengths. In the fifth Ba2+ site, Ba2+ is bonded to six Sb3- atoms to form a mixture of distorted corner and face-sharing BaSb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 43–52°. There are four shorter (3.70 Å) and two longer (3.72 Å) Ba–Sb bond lengths. There are two inequivalent In2+ sites. In the first In2+ site, In2+ is bonded in a trigonal non-coplanar geometry to three Sb3- atoms. There are a spread of In–Sb bond distances ranging from 2.88–3.13 Å. In the second In2+ site, In2+ is bonded in a trigonal non-coplanar geometry to three Sb3- atoms. There are a spread of In–Sb bond distances ranging from 2.87–3.01 Å. There are four inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to five Ba2+ and two In2+ atoms to form distorted SbBa5In2 pentagonal bipyramids that share a cornercorner with one SbBa5In2 pentagonal bipyramid, edges with two equivalent SbBa4In2 octahedra, and edges with three equivalent SbBa5In2 pentagonal bipyramids. In the second Sb3- site, Sb3- is bonded in a 7-coordinate geometry to five Ba2+ and two In2+ atoms. In the third Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six Ba2+ and two equivalent In2+ atoms. In the fourth Sb3- site, Sb3- is bonded to four Ba2+ and two equivalent In2+ atoms to form SbBa4In2 octahedra that share a cornercorner with one SbBa4In2 octahedra and edges with four equivalent SbBa5In2 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 96°.
DOI: 10.17188/1732616
title: Materials Data on La18In3Co28 by Materials Project

description: La18Co28In3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to sixteen Co atoms. There are a spread of La–Co bond distances ranging from 3.00–3.22 Å. In the second La site, La is bonded in a 6-coordinate geometry to six Co and two equivalent In atoms. There are four shorter (2.90 Å) and two longer (3.08 Å) La–Co bond lengths. Both La–In bond lengths are 3.75 Å. In the third La site, La is bonded in a 7-coordinate geometry to six Co and two In atoms. There are a spread of La–Co bond distances ranging from 2.93–2.97 Å. There are one shorter (3.48 Å) and one longer (4.06 Å) La–In bond lengths. In the fourth La site, La is bonded in a 7-coordinate geometry to six Co and one In atom. There are four shorter (2.88 Å) and two longer (2.97 Å) La–Co bond lengths. The La–In bond length is 3.58 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Co atoms. All Co–Co bond lengths are 2.40 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to five La and five Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.47 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to four La and six Co atoms. Both Co–Co bond lengths are 2.59 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to twelve La and two equivalent In atoms. Both In–In bond lengths are 3.21 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight La and two In atoms. The In–In bond length is 3.12 Å.