cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1475836
title: Materials Data on Sm2Fe2O5 by Materials Project

description: Sm2Fe2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sm–O bond distances ranging from 2.30–2.44 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent FeO6 octahedra and corners with two equivalent FeO4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. There are four shorter (2.06 Å) and two longer (2.27 Å) Fe–O bond lengths. In the second Fe2+ site, Fe2+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with two equivalent FeO6 octahedra and corners with two equivalent FeO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Fe–O bond distances ranging from 1.95–2.19 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Fe2+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sm3+ and two Fe2+ atoms. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Fe2+ atoms to form corner-sharing OSm2Fe2 tetrahedra.
DOI: 10.17188/1475839
title: Materials Data on SmNiO3 by Materials Project

description: SmNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm3+ is bonded to twelve equivalent O2- atoms to form SmO12 cuboctahedra that share corners with twelve equivalent SmO12 cuboctahedra, faces with six equivalent SmO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Sm–O bond lengths are 2.68 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.90 Å. O2- is bonded in a distorted linear geometry to four equivalent Sm3+ and two equivalent Ni3+ atoms.
DOI: 10.17188/1475842
title: Materials Data on Eu2Ni2O5 by Materials Project

description: Eu2Ni2O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Eu–O bond distances ranging from 2.01–2.90 Å. In the second Eu3+ site, Eu3+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Eu–O bond distances ranging from 2.04–2.92 Å. In the third Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to two Ni2+ and six O2- atoms. There are one shorter (2.22 Å) and one longer (2.41 Å) Eu–Ni bond lengths. There are a spread of Eu–O bond distances ranging from 2.31–3.07 Å. In the fourth Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to two Ni2+ and seven O2- atoms. There are one shorter (2.27 Å) and one longer (2.40 Å) Eu–Ni bond lengths. There are a spread of Eu–O bond distances ranging from 2.29–2.96 Å. There are four inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 4-coordinate geometry to two Eu3+ and six O2- atoms. There are a spread of Ni–O bond distances ranging from 2.04–2.64 Å. In the second Ni2+ site, Ni2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ni–O bond distances ranging from 1.84–1.89 Å. In the third Ni2+ site, Ni2+ is bonded in a 3-coordinate geometry to one Eu3+ and four O2- atoms. There are a spread of Ni–O bond distances ranging from 1.88–2.71 Å. In the fourth Ni2+ site, Ni2+ is bonded in a 5-coordinate geometry to one Eu3+ and four O2- atoms. There are a spread of Ni–O bond distances ranging from 1.73–2.58 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+, two Ni2+, and one O2- atom. The O–O bond length is 2.39 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+, two Ni2+, and one O2- atom. The O–O bond length is 2.30 Å. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+, two Ni2+, and one O2- atom. The O–O bond length is 2.55 Å. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+, two Ni2+, and one O2- atom. The O–O bond length is 2.45 Å. In the fifth O2- site, O2- is bonded in a 9-coordinate geometry to four Eu3+, two Ni2+, and three O2- atoms. The O–O bond length is 2.55 Å. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to four Eu3+, two Ni2+, and three O2- atoms. The O–O bond length is 2.57 Å. In the seventh O2- site, O2- is bonded in a distorted L-shaped geometry to two Eu3+ and one Ni2+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu3+ and one Ni2+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Eu3+, two Ni2+, and one O2- atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Eu3+, two Ni2+, and one O2- atom.
DOI: 10.17188/1475845
title: Materials Data on BaSr7(FeO3)8 by Materials Project

description: BaSr7(FeO3)8 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All Ba–O bond lengths are 2.83 Å. There are three inequivalent Sr sites. In the first Sr site, Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with twelve SrO12 cuboctahedra, faces with two equivalent BaO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. There are eight shorter (2.78 Å) and four longer (2.79 Å) Sr–O bond lengths. In the second Sr site, Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, corners with eight equivalent SrO12 cuboctahedra, faces with six SrO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. There are four shorter (2.73 Å) and eight longer (2.78 Å) Sr–O bond lengths. In the third Sr site, Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All Sr–O bond lengths are 2.77 Å. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra, a faceface with one BaO12 cuboctahedra, and faces with seven SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. There is three shorter (1.96 Å) and three longer (1.98 Å) Fe–O bond length. There are two inequivalent O sites. In the first O site, O is bonded to one Ba, three Sr, and two equivalent Fe atoms to form a mixture of distorted corner, edge, and face-sharing OBaSr3Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O site, O is bonded to four Sr and two equivalent Fe atoms to form distorted OSr4Fe2 octahedra that share corners with twenty-two OBaSr3Fe2 octahedra, edges with four equivalent OSr4Fe2 octahedra, and faces with eight OBaSr3Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1475849
title: Materials Data on K2Nb2O5 by Materials Project

description: K2Nb2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.59–3.09 Å. There are two inequivalent Nb4+ sites. In the first Nb4+ site, Nb4+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra and corners with two equivalent NbO4 tetrahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Nb–O bond distances ranging from 2.05–2.12 Å. In the second Nb4+ site, Nb4+ is bonded to four O2- atoms to form NbO4 tetrahedra that share corners with two equivalent NbO6 octahedra and corners with two equivalent NbO4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. There is two shorter (1.95 Å) and two longer (1.96 Å) Nb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent Nb4+ atoms to form distorted OK4Nb2 octahedra that share corners with two equivalent OK4Nb2 octahedra, corners with four equivalent OK2Nb2 tetrahedra, edges with two equivalent OK4Nb2 octahedra, and faces with four equivalent OK4Nb2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two Nb4+ atoms. In the third O2- site, O2- is bonded to two equivalent K1+ and two equivalent Nb4+ atoms to form distorted OK2Nb2 tetrahedra that share corners with eight equivalent OK4Nb2 octahedra and corners with two equivalent OK2Nb2 tetrahedra. The corner-sharing octahedra tilt angles range from 17–82°.
DOI: 10.17188/1475852
title: Materials Data on Na2Mo2O5 by Materials Project

description: Na2Mo2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.71 Å. There are two inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with four equivalent MoO6 octahedra and corners with two equivalent MoO4 tetrahedra. The corner-sharing octahedral tilt angles are 17°. There are four shorter (2.05 Å) and two longer (2.15 Å) Mo–O bond lengths. In the second Mo4+ site, Mo4+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MoO6 octahedra and corners with two equivalent MoO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Mo–O bond distances ranging from 1.91–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Na1+ and two equivalent Mo4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two Mo4+ atoms. In the third O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Mo4+ atoms to form distorted corner-sharing ONa2Mo2 tetrahedra.
DOI: 10.17188/1475853
title: Materials Data on Sr8MnFe7O24 by Materials Project

description: Sr8MnFe7O24 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, a faceface with one MnO6 octahedra, and faces with seven FeO6 octahedra. There are three shorter (2.76 Å) and nine longer (2.77 Å) Sr–O bond lengths. Mn is bonded to six equivalent O atoms to form MnO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.93 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six FeO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 1.95 Å. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent FeO6 octahedra, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.96 Å) and two longer (1.98 Å) Fe–O bond length. In the third Fe site, Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 1.96 Å. There are three inequivalent O sites. In the first O site, O is bonded to four equivalent Sr and two Fe atoms to form a mixture of distorted face, edge, and corner-sharing OSr4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. In the second O site, O is bonded to four equivalent Sr and two Fe atoms to form a mixture of distorted face, edge, and corner-sharing OSr4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. In the third O site, O is bonded in a distorted linear geometry to four equivalent Sr, one Mn, and one Fe atom.
DOI: 10.17188/1475866
title: Materials Data on Eu2Mn2O5 by Materials Project

description: Eu2Mn2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.94 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MnO6 octahedra and corners with two equivalent MnO4 tetrahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Mn–O bond distances ranging from 1.97–2.14 Å. In the second Mn2+ site, Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two equivalent MnO6 octahedra and corners with two equivalent MnO4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Mn–O bond distances ranging from 2.01–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Eu3+ and two equivalent Mn2+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+ and two Mn2+ atoms. In the third O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Mn2+ atoms to form corner-sharing OEu2Mn2 tetrahedra.
DOI: 10.17188/1475871
title: Materials Data on Eu2V2O5 by Materials Project

description: Eu2V2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.44–2.96 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent VO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedral tilt angles are 10°. There are four shorter (2.01 Å) and two longer (2.20 Å) V–O bond lengths. In the second V3+ site, V3+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent VO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of V–O bond distances ranging from 1.93–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent V3+ atoms to form distorted OEu4V2 octahedra that share corners with two equivalent OEu4V2 octahedra, corners with four equivalent OEu2V2 tetrahedra, edges with two equivalent OEu4V2 octahedra, and faces with four equivalent OEu4V2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu2+ and two V3+ atoms. In the third O2- site, O2- is bonded to two equivalent Eu2+ and two equivalent V3+ atoms to form distorted OEu2V2 tetrahedra that share corners with eight equivalent OEu4V2 octahedra and corners with two equivalent OEu2V2 tetrahedra. The corner-sharing octahedra tilt angles range from 22–79°.
DOI: 10.17188/1475882
title: Materials Data on EuAgO3 by Materials Project

description: EuAgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu3+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, and faces with eight equivalent AgO6 octahedra. All Eu–O bond lengths are 2.89 Å. Ag3+ is bonded to six equivalent O2- atoms to form AgO6 octahedra that share corners with six equivalent AgO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–O bond lengths are 2.04 Å. O2- is bonded in a distorted linear geometry to four equivalent Eu3+ and two equivalent Ag3+ atoms.
DOI: 10.17188/1475887
title: Materials Data on EuCoO3 by Materials Project

description: EuCoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu3+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. All Eu–O bond lengths are 2.67 Å. Co3+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Eu3+ and two equivalent Co3+ atoms.
DOI: 10.17188/1475893
title: Materials Data on SrCa3(CoO3)4 by Materials Project

description: SrCa3(CoO3)4 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve CaO12 cuboctahedra, faces with two equivalent SrO12 cuboctahedra, faces with four equivalent CaO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. There are four shorter (2.70 Å) and eight longer (2.74 Å) Sr–O bond lengths. There are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to twelve O2- atoms to form CaO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, corners with eight CaO12 cuboctahedra, faces with two equivalent SrO12 cuboctahedra, faces with four CaO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. There are a spread of Ca–O bond distances ranging from 2.66–2.70 Å. In the second Ca2+ site, Ca2+ is bonded to twelve O2- atoms to form CaO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, corners with eight equivalent CaO12 cuboctahedra, faces with six CaO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. There are four shorter (2.62 Å) and eight longer (2.71 Å) Ca–O bond lengths. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO6 octahedra, faces with two equivalent SrO12 cuboctahedra, and faces with six CaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–3°. There are a spread of Co–O bond distances ranging from 1.87–1.94 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, three Ca2+, and two equivalent Co4+ atoms to form a mixture of distorted corner and edge-sharing OSrCa3Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent Ca2+, and two equivalent Co4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four Ca2+ and two equivalent Co4+ atoms.
DOI: 10.17188/1475894
title: Materials Data on Sr2Cu2O5 by Materials Project

description: Sr2Cu2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.00 Å. There are two inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with four equivalent CuO6 octahedra and corners with two equivalent CuO4 tetrahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Cu–O bond distances ranging from 1.95–2.21 Å. In the second Cu3+ site, Cu3+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with two equivalent CuO6 octahedra and corners with two equivalent CuO4 tetrahedra. The corner-sharing octahedral tilt angles are 21°. There is three shorter (1.85 Å) and one longer (1.94 Å) Cu–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cu3+ atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent OSr4Cu2 octahedra, corners with four equivalent OSr2Cu2 trigonal pyramids, edges with two equivalent OSr4Cu2 octahedra, and faces with four equivalent OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two Cu3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Cu3+ atoms to form distorted OSr2Cu2 trigonal pyramids that share corners with eight equivalent OSr4Cu2 octahedra and corners with two equivalent OSr2Cu2 trigonal pyramids. The corner-sharing octahedra tilt angles range from 20–76°.
DOI: 10.17188/1475895
title: Materials Data on La2Cr2O5 by Materials Project

description: La2Cr2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.96 Å. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent CrO6 octahedra and corners with two equivalent CrO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 20°. There are four shorter (2.03 Å) and two longer (2.04 Å) Cr–O bond lengths. In the second Cr2+ site, Cr2+ is bonded to four O2- atoms to form CrO4 trigonal pyramids that share corners with two equivalent CrO6 octahedra and corners with two equivalent CrO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 28°. There are a spread of Cr–O bond distances ranging from 2.05–2.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent La3+ and two equivalent Cr2+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two Cr2+ atoms. In the third O2- site, O2- is bonded to two equivalent La3+ and two equivalent Cr2+ atoms to form corner-sharing OLa2Cr2 tetrahedra.