cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1666578
title: Materials Data on CeYCo17 by Materials Project

description: CeYCo17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ce is bonded in a 3-coordinate geometry to nineteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.94–3.28 Å. Y is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.98–3.19 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Ce, one Y, and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.67 Å. In the second Co site, Co is bonded to one Ce, two equivalent Y, and nine Co atoms to form CoCeY2Co9 cuboctahedra that share corners with fifteen CoCeY2Co9 cuboctahedra, edges with eight CoCeYCo10 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.60 Å. In the third Co site, Co is bonded to two equivalent Ce, one Y, and nine Co atoms to form CoCe2YCo9 cuboctahedra that share corners with fifteen CoCeY2Co9 cuboctahedra, edges with eight CoCeYCo10 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are two shorter (2.40 Å) and one longer (2.57 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to one Ce, one Y, and ten Co atoms to form distorted CoCeYCo10 cuboctahedra that share corners with fourteen CoCeYCo10 cuboctahedra, edges with six CoCeY2Co9 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are one shorter (2.53 Å) and one longer (2.55 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Ce and thirteen Co atoms. The Co–Co bond length is 2.37 Å. In the sixth Co site, Co is bonded in a 2-coordinate geometry to one Y and thirteen Co atoms.
DOI: 10.17188/1666579
title: Materials Data on Li2Fe3P9O28 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: 10.17188/1666580
title: Materials Data on PdC8(NCl3)2 by Materials Project

description: Pd2C12(NCl4)3C4N crystallizes in the cubic Fd-3c space group. The structure is three-dimensional and consists of sixteen tetramethylammonium molecules and one Pd2C12(NCl4)3 framework. In the Pd2C12(NCl4)3 framework, Pd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.68 Å. C+1.25+ is bonded in a distorted bent 150 degrees geometry to one N3- and one Cl1- atom. The C–N bond length is 1.48 Å. The C–Cl bond length is 1.67 Å. N3- is bonded in a 4-coordinate geometry to four equivalent C+1.25+ atoms. Cl1- is bonded in a 2-coordinate geometry to one Pd2+ and one C+1.25+ atom.
DOI: 10.17188/1666581
title: Materials Data on TmPd2Pb by Materials Project

description: TmPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Tm–Pd bond lengths are 2.97 Å. All Tm–Pb bond lengths are 3.43 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Tm and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.97 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Tm and eight equivalent Pd atoms.
DOI: 10.17188/1666582
title: Materials Data on Cr2Fe3Sn(PO4)6 by Materials Project

description: Cr2Fe3Sn(PO4)6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six O2- atoms to form distorted CrO6 octahedra that share corners with six PO4 tetrahedra, a faceface with one FeO6 octahedra, and a faceface with one SnO6 octahedra. There are three shorter (2.13 Å) and three longer (2.22 Å) Cr–O bond lengths. In the second Cr3+ site, Cr3+ is bonded in a 6-coordinate geometry to six O2- atoms. All Cr–O bond lengths are 2.17 Å. There are three inequivalent Fe+2.67+ sites. In the first Fe+2.67+ site, Fe+2.67+ is bonded to six O2- atoms to form distorted FeO6 octahedra that share corners with six PO4 tetrahedra and a faceface with one CrO6 octahedra. There are three shorter (1.94 Å) and three longer (2.11 Å) Fe–O bond lengths. In the second Fe+2.67+ site, Fe+2.67+ is bonded to six O2- atoms to form distorted FeO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (1.94 Å) and three longer (2.09 Å) Fe–O bond lengths. In the third Fe+2.67+ site, Fe+2.67+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (1.94 Å) and three longer (2.10 Å) Fe–O bond lengths. Sn4+ is bonded to six O2- atoms to form distorted SnO6 octahedra that share corners with six PO4 tetrahedra and a faceface with one CrO6 octahedra. There are three shorter (2.01 Å) and three longer (2.11 Å) Sn–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one CrO6 octahedra, a cornercorner with one SnO6 octahedra, and corners with three FeO6 octahedra. The corner-sharing octahedra tilt angles range from 29–51°. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one CrO6 octahedra, a cornercorner with one SnO6 octahedra, and corners with three FeO6 octahedra. The corner-sharing octahedra tilt angles range from 25–51°. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe+2.67+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Cr3+, one Fe+2.67+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Cr3+, one Fe+2.67+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe+2.67+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Cr3+, one Sn4+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Cr3+, one Fe+2.67+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe+2.67+ and one P5+ atom.
DOI: 10.17188/1666583
title: Materials Data on K2NaTmCl6 by Materials Project

description: K2NaTmCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent TmCl6 octahedra. All K–Cl bond lengths are 3.77 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.74 Å. Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.59 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Tm3+ atom.
DOI: 10.17188/1666584
title: Materials Data on Na2CrCuF7 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: 10.17188/1666585
title: Materials Data on Li2CrSiO4 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: 10.17188/1666586
title: Materials Data on YMn2O5 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: 10.17188/1666587
title: Materials Data on Ca2TaMnO6 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: 10.17188/1666590
title: Materials Data on LiMn2(PO4)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: 10.17188/1666592
title: Materials Data on Li3CoPCO7 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: 10.17188/1666593
title: Materials Data on La2Mo4O15 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: 10.17188/1666594
title: Materials Data on Mg5Si6 by Materials Project

description: Mg5Si6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a square co-planar geometry to four Si atoms. There are two shorter (2.70 Å) and two longer (2.78 Å) Mg–Si bond lengths. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.82–3.10 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.85–3.05 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to six Mg and two Si atoms. There are one shorter (2.37 Å) and one longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six Mg and three equivalent Si atoms. There are two shorter (2.47 Å) and one longer (2.50 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to four Mg and four Si atoms.
DOI: 10.17188/1666595
title: Materials Data on LiUO3 by Materials Project

description: LiUO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with six equivalent UO5 square pyramids and corners with two equivalent LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–1.99 Å. U5+ is bonded to five O2- atoms to form UO5 square pyramids that share corners with six equivalent LiO4 tetrahedra and edges with two equivalent UO5 square pyramids. There are a spread of U–O bond distances ranging from 1.97–2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent U5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent U5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one U5+ atom.
DOI: 10.17188/1666596
title: Materials Data on ErTmMg2 by Materials Project

description: Mg2TmEr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Er atoms. All Mg–Tm bond lengths are 3.25 Å. All Mg–Er bond lengths are 3.25 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Er is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1666597
title: Materials Data on MgCu2AsO7 by Materials Project

description: MgCu2AsO7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with three equivalent AsO4 tetrahedra and edges with four CuO5 square pyramids. There are a spread of Mg–O bond distances ranging from 2.06–2.18 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to five O atoms to form distorted CuO5 square pyramids that share a cornercorner with one CuO5 square pyramid, corners with three equivalent AsO4 tetrahedra, edges with two equivalent MgO6 octahedra, and an edgeedge with one CuO5 square pyramid. There are a spread of Cu–O bond distances ranging from 1.85–2.47 Å. In the second Cu site, Cu is bonded to five O atoms to form distorted CuO5 square pyramids that share a cornercorner with one CuO5 square pyramid, corners with two equivalent AsO4 tetrahedra, edges with two equivalent MgO6 octahedra, and an edgeedge with one CuO5 square pyramid. There are a spread of Cu–O bond distances ranging from 1.82–2.43 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent MgO6 octahedra and corners with five CuO5 square pyramids. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of As–O bond distances ranging from 1.68–1.75 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two Cu and one As atom. In the second O site, O is bonded in a 3-coordinate geometry to one Mg, one Cu, and one As atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to one Mg and two Cu atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Mg, one Cu, and one As atom. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to one Mg and two Cu atoms. In the sixth O site, O is bonded in a water-like geometry to one Mg and one Cu atom. In the seventh O site, O is bonded in a distorted trigonal planar geometry to one Mg, one Cu, and one As atom.
DOI: 10.17188/1666598
title: Materials Data on V2BiO2 by Materials Project

description: V2BiO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. V is bonded in a 1-coordinate geometry to three equivalent O atoms. There are one shorter (2.00 Å) and two longer (2.21 Å) V–O bond lengths. Bi is bonded in a distorted linear geometry to two equivalent O atoms. Both Bi–O bond lengths are 2.43 Å. O is bonded in a 4-coordinate geometry to three equivalent V and one Bi atom.
DOI: 10.17188/1666600
title: Materials Data on Y2BeIr by Materials Project

description: BeY2Ir crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeY2Ir ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Y atoms. Both Be–Y bond lengths are 2.66 Å. Y is bonded in a linear geometry to one Be and one Ir atom. The Y–Ir bond length is 2.44 Å. Ir is bonded in a linear geometry to two equivalent Y atoms.
DOI: 10.17188/1666601
title: Materials Data on In2(SeO4)3 by Materials Project

description: In2(SeO4)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.15–2.19 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.15–2.22 Å. There are three inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four InO6 octahedra. The corner-sharing octahedra tilt angles range from 36–48°. There are a spread of Se–O bond distances ranging from 1.66–1.68 Å. In the second Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four InO6 octahedra. The corner-sharing octahedra tilt angles range from 25–47°. There are a spread of Se–O bond distances ranging from 1.66–1.68 Å. In the third Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four InO6 octahedra. The corner-sharing octahedra tilt angles range from 34–48°. There is three shorter (1.67 Å) and one longer (1.68 Å) Se–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one In3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one In3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one In3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one In3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one In3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one In3+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one In3+ and one Se6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one In3+ and one Se6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one In3+ and one Se6+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one In3+ and one Se6+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one In3+ and one Se6+ atom. In the twelfth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one In3+ and one Se6+ atom.
DOI: 10.17188/1666602
title: Materials Data on Li4TiCo3O8 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: 10.17188/1666603
title: Materials Data on CoSnN6Cl5 by Materials Project

description: CoN4ClN2SnCl4 is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitrogen molecules, four tin tetrachloride molecules, and four CoN4Cl clusters. In each CoN4Cl cluster, Co3+ is bonded in a tetrahedral geometry to four N+0.33- atoms. There are a spread of Co–N bond distances ranging from 1.61–1.86 Å. There are four inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted bent 120 degrees geometry to one Co3+ and one Cl1- atom. The N–Cl bond length is 1.64 Å. In the second N+0.33- site, N+0.33- is bonded in a single-bond geometry to one Co3+ atom. In the third N+0.33- site, N+0.33- is bonded in a single-bond geometry to one Co3+ atom. In the fourth N+0.33- site, N+0.33- is bonded in a single-bond geometry to one Co3+ atom. Cl1- is bonded in a single-bond geometry to one N+0.33- atom.
DOI: 10.17188/1666604
title: Materials Data on Hf3Si by Materials Project

description: Hf3Si is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to eight equivalent Hf and four equivalent Si atoms to form distorted HfHf8Si4 cuboctahedra that share corners with four equivalent SiHf12 cuboctahedra, corners with fourteen equivalent HfHf8Si4 cuboctahedra, edges with six equivalent SiHf12 cuboctahedra, edges with twelve equivalent HfHf8Si4 cuboctahedra, faces with four equivalent SiHf12 cuboctahedra, and faces with sixteen equivalent HfHf8Si4 cuboctahedra. There are a spread of Hf–Hf bond distances ranging from 2.96–3.11 Å. There are two shorter (2.98 Å) and two longer (3.03 Å) Hf–Si bond lengths. Si is bonded to twelve equivalent Hf atoms to form SiHf12 cuboctahedra that share corners with six equivalent SiHf12 cuboctahedra, corners with twelve equivalent HfHf8Si4 cuboctahedra, edges with eighteen equivalent HfHf8Si4 cuboctahedra, faces with eight equivalent SiHf12 cuboctahedra, and faces with twelve equivalent HfHf8Si4 cuboctahedra.
DOI: 10.17188/1666605
title: Materials Data on Ac3Tm by Materials Project

description: Ac3Tm is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Tm atoms to form AcAc8Tm4 cuboctahedra that share corners with twelve equivalent AcAc8Tm4 cuboctahedra, edges with eight equivalent TmAc12 cuboctahedra, edges with sixteen AcAc8Tm4 cuboctahedra, faces with four equivalent TmAc12 cuboctahedra, and faces with fourteen AcAc8Tm4 cuboctahedra. There are four shorter (3.86 Å) and four longer (3.88 Å) Ac–Ac bond lengths. All Ac–Tm bond lengths are 3.86 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Tm atoms to form AcAc8Tm4 cuboctahedra that share corners with four equivalent AcAc8Tm4 cuboctahedra, corners with eight equivalent TmAc12 cuboctahedra, edges with twenty-four AcAc8Tm4 cuboctahedra, faces with six equivalent TmAc12 cuboctahedra, and faces with twelve AcAc8Tm4 cuboctahedra. All Ac–Tm bond lengths are 3.88 Å. Tm is bonded to twelve Ac atoms to form TmAc12 cuboctahedra that share corners with four equivalent TmAc12 cuboctahedra, corners with eight equivalent AcAc8Tm4 cuboctahedra, edges with eight equivalent TmAc12 cuboctahedra, edges with sixteen equivalent AcAc8Tm4 cuboctahedra, faces with four equivalent TmAc12 cuboctahedra, and faces with fourteen AcAc8Tm4 cuboctahedra.
DOI: 10.17188/1666606
title: Materials Data on CsLaO3 by Materials Project

description: CsLaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent O atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent LaO6 octahedra. All Cs–O bond lengths are 3.37 Å. La is bonded to six equivalent O atoms to form LaO6 octahedra that share corners with six equivalent LaO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–O bond lengths are 2.38 Å. O is bonded in a distorted linear geometry to four equivalent Cs and two equivalent La atoms.