cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1318561
title: Materials Data on CaV2O4 by Materials Project

description: CaV2O4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with five VO6 octahedra, edges with five VO6 octahedra, edges with two equivalent CaO6 pentagonal pyramids, and a faceface with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 13–52°. There are a spread of Ca–O bond distances ranging from 2.26–2.46 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, corners with three equivalent CaO6 pentagonal pyramids, edges with four equivalent VO6 octahedra, and edges with three equivalent CaO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 51–62°. There are a spread of V–O bond distances ranging from 1.99–2.19 Å. In the second V3+ site, V3+ is bonded to six O2- atoms to form distorted VO6 octahedra that share corners with four equivalent VO6 octahedra, corners with two equivalent CaO6 pentagonal pyramids, edges with four equivalent VO6 octahedra, edges with two equivalent CaO6 pentagonal pyramids, and a faceface with one CaO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 51–62°. There are a spread of V–O bond distances ranging from 2.01–2.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+ and three V3+ atoms to form distorted OCaV3 trigonal pyramids that share corners with three OCa2V3 square pyramids, corners with two equivalent OCaV3 trigonal pyramids, and edges with five OCa2V3 square pyramids. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ca2+ and three V3+ atoms. In the third O2- site, O2- is bonded to two equivalent Ca2+ and three equivalent V3+ atoms to form OCa2V3 square pyramids that share corners with two equivalent OCa2V3 square pyramids, corners with two equivalent OCaV3 trigonal pyramids, edges with five OCa2V3 square pyramids, and edges with three equivalent OCaV3 trigonal pyramids. In the fourth O2- site, O2- is bonded to two equivalent Ca2+ and three equivalent V3+ atoms to form distorted OCa2V3 square pyramids that share corners with two equivalent OCa2V3 square pyramids, a cornercorner with one OCaV3 trigonal pyramid, edges with five OCa2V3 square pyramids, and edges with two equivalent OCaV3 trigonal pyramids.
DOI: 10.17188/1318563
title: Materials Data on AlSb3Se2ClO8 (SG:25) 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: 10.17188/1318566
title: Materials Data on Mn2ZnO4 by Materials Project

description: ZnMn2O4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent ZnO6 pentagonal pyramids, edges with six MnO6 octahedra, and an edgeedge with one ZnO6 pentagonal pyramid. There are a spread of Mn–O bond distances ranging from 1.87–2.23 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with six MnO6 octahedra and edges with two equivalent ZnO6 pentagonal pyramids. There are a spread of Mn–O bond distances ranging from 1.97–2.22 Å. In the third Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with six MnO6 octahedra and edges with two equivalent ZnO6 pentagonal pyramids. There are a spread of Mn–O bond distances ranging from 1.97–2.21 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form distorted ZnO6 pentagonal pyramids that share corners with six equivalent MnO6 octahedra and edges with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 4–19°. There are four shorter (2.20 Å) and two longer (2.23 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.03–2.32 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to three Mn3+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mn3+ and one Zn2+ atom. In the third O2- site, O2- is bonded to three Mn3+ and two Zn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3Zn2 trigonal bipyramids. In the fourth O2- site, O2- is bonded to three Mn3+ and two Zn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3Zn2 trigonal bipyramids.
DOI: 10.17188/1318568
title: Materials Data on ZnNi2O5 by Materials Project

description: Ni2ZnO5 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Ni2ZnO5 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Ni4+ sites. In the first Ni4+ site, Ni4+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing NiO5 trigonal bipyramids. There are a spread of Ni–O bond distances ranging from 1.96–2.02 Å. In the second Ni4+ site, Ni4+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing NiO5 trigonal bipyramids. There are four shorter (1.97 Å) and one longer (2.03 Å) Ni–O bond lengths. Zn2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.96–2.11 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two Ni4+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Ni4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Ni4+ and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ni4+ and one O2- atom. The O–O bond length is 1.33 Å. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ni4+ and one O2- atom.
DOI: 10.17188/1318572
title: Materials Data on Ca(CoO2)2 by Materials Project

description: CaCo2O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.29–2.67 Å. In the second Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.28–2.68 Å. There are four inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to five O2- atoms to form CoO5 square pyramids that share corners with four CoO6 octahedra and edges with two equivalent CoO5 square pyramids. The corner-sharing octahedra tilt angles range from 53–54°. There are a spread of Co–O bond distances ranging from 1.84–2.01 Å. In the second Co3+ site, Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four CoO5 square pyramids and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.86–2.00 Å. In the third Co3+ site, Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four CoO5 square pyramids and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.86–2.00 Å. In the fourth Co3+ site, Co3+ is bonded to five O2- atoms to form CoO5 square pyramids that share corners with four CoO6 octahedra and edges with two equivalent CoO5 square pyramids. The corner-sharing octahedra tilt angles range from 53–54°. There are a spread of Co–O bond distances ranging from 1.85–2.00 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Co3+ atoms. In the second O2- site, O2- is bonded to one Ca2+ and three Co3+ atoms to form distorted OCaCo3 trigonal pyramids that share corners with two equivalent OCa2Co3 square pyramids, corners with two equivalent OCaCo3 trigonal pyramids, and edges with three OCa2Co3 square pyramids. In the third O2- site, O2- is bonded to one Ca2+ and three Co3+ atoms to form distorted OCaCo3 trigonal pyramids that share corners with two equivalent OCa2Co3 square pyramids, corners with two equivalent OCaCo3 trigonal pyramids, and edges with three OCa2Co3 square pyramids. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three Co3+ atoms. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to four Ca2+ and two equivalent Co3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Ca2+ and three Co3+ atoms to form OCa2Co3 square pyramids that share corners with two equivalent OCaCo3 trigonal pyramids, edges with four OCa2Co3 square pyramids, and edges with three OCaCo3 trigonal pyramids. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to four Ca2+ and two equivalent Co3+ atoms. In the eighth O2- site, O2- is bonded to two equivalent Ca2+ and three Co3+ atoms to form OCa2Co3 square pyramids that share corners with two equivalent OCaCo3 trigonal pyramids, edges with four OCa2Co3 square pyramids, and edges with three OCaCo3 trigonal pyramids.
DOI: 10.17188/1318575
title: Materials Data on CaMn2O4 by Materials Project

description: CaMn2O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.28–2.67 Å. In the second Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ca–O bond distances ranging from 2.27–2.38 Å. There are four inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to five O2- atoms to form MnO5 square pyramids that share corners with four MnO6 octahedra and edges with two equivalent MnO5 square pyramids. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Mn–O bond distances ranging from 1.95–2.14 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with four MnO5 square pyramids and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.98–2.31 Å. In the third Mn3+ site, Mn3+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with four MnO5 square pyramids and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.98–2.26 Å. In the fourth Mn3+ site, Mn3+ is bonded to five O2- atoms to form MnO5 square pyramids that share corners with four MnO6 octahedra and edges with two equivalent MnO5 square pyramids. The corner-sharing octahedra tilt angles range from 50–60°. There are a spread of Mn–O bond distances ranging from 1.94–2.14 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+ and three Mn3+ atoms. In the third O2- site, O2- is bonded to one Ca2+ and three Mn3+ atoms to form distorted OCaMn3 tetrahedra that share corners with two equivalent OCa2Mn3 square pyramids, corners with two equivalent OCaMn3 tetrahedra, and edges with three OCa2Mn3 square pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+ and three Mn3+ atoms. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Mn3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Ca2+ and three Mn3+ atoms to form distorted OCa2Mn3 square pyramids that share corners with two equivalent OCaMn3 tetrahedra, edges with four OCa2Mn3 square pyramids, and an edgeedge with one OCaMn3 tetrahedra. In the seventh O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Mn3+ atoms. In the eighth O2- site, O2- is bonded to two equivalent Ca2+ and three Mn3+ atoms to form distorted OCa2Mn3 square pyramids that share edges with four OCa2Mn3 square pyramids and edges with two equivalent OCaMn3 tetrahedra.
DOI: 10.17188/1318576
title: Materials Data on VZnO2 by Materials Project

description: VZnO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of V–O bond distances ranging from 2.02–2.20 Å. In the second V2+ site, V2+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of V–O bond distances ranging from 2.01–2.25 Å. In the third V2+ site, V2+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of V–O bond distances ranging from 2.01–2.30 Å. In the fourth V2+ site, V2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of V–O bond distances ranging from 2.05–2.19 Å. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.99–2.20 Å. In the second Zn2+ site, Zn2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.30 Å. In the third Zn2+ site, Zn2+ is bonded in a single-bond geometry to one O2- atom. The Zn–O bond length is 1.87 Å. In the fourth Zn2+ site, Zn2+ is bonded in a single-bond geometry to one O2- atom. The Zn–O bond length is 1.87 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to three V2+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OV3Zn tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three V2+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three V2+ atoms. In the fourth O2- site, O2- is bonded to three V2+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OV3Zn tetrahedra. In the fifth O2- site, O2- is bonded to three V2+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OV3Zn tetrahedra. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three V2+ and two equivalent Zn2+ atoms. In the seventh O2- site, O2- is bonded to three V2+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OV3Zn tetrahedra. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to three V2+ and two equivalent Zn2+ atoms.
DOI: 10.17188/1318577
title: Materials Data on MgCrP2O7 (SG:14) 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: 10.17188/1318580
title: Materials Data on Ca(FeO2)2 by Materials Project

description: CaFe2O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.28–2.70 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.28–2.91 Å. There are four inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to five O2- atoms to form distorted FeO5 square pyramids that share corners with four FeO6 octahedra and edges with two equivalent FeO5 square pyramids. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of Fe–O bond distances ranging from 1.95–2.10 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four FeO5 square pyramids and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.01–2.11 Å. In the third Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four FeO5 square pyramids and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.98–2.13 Å. In the fourth Fe3+ site, Fe3+ is bonded to five O2- atoms to form distorted FeO5 square pyramids that share corners with four FeO6 octahedra and edges with two equivalent FeO5 square pyramids. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of Fe–O bond distances ranging from 1.96–2.10 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and three Fe3+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ca2+ and three Fe3+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ca2+ and three Fe3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+ and three Fe3+ atoms. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Fe3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Ca2+ and three Fe3+ atoms to form distorted edge-sharing OCa2Fe3 trigonal bipyramids. In the seventh O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Fe3+ atoms. In the eighth O2- site, O2- is bonded to two equivalent Ca2+ and three Fe3+ atoms to form distorted edge-sharing OCa2Fe3 square pyramids.
DOI: 10.17188/1318581
title: Materials Data on Ca(FeO2)2 (SG:8) 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: 10.17188/1318583
title: Materials Data on CaNiO2 (SG:8) 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: 10.17188/1318584
title: Materials Data on MgMn2O4 by Materials Project

description: MgMn2O4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with four equivalent MnO6 octahedra, corners with four equivalent MnO5 square pyramids, an edgeedge with one MnO5 square pyramid, edges with two equivalent MgO5 square pyramids, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 36–62°. There are two shorter (2.04 Å) and three longer (2.08 Å) Mg–O bond lengths. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to five O2- atoms to form MnO5 square pyramids that share corners with four equivalent MnO6 octahedra, corners with four equivalent MgO5 square pyramids, an edgeedge with one MgO5 square pyramid, and edges with two equivalent MnO5 square pyramids. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Mn–O bond distances ranging from 1.93–2.07 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with four equivalent MgO5 square pyramids, corners with four equivalent MnO5 square pyramids, edges with four equivalent MnO6 octahedra, and a faceface with one MgO5 square pyramid. There are a spread of Mn–O bond distances ranging from 1.90–2.33 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+ and three Mn3+ atoms to form distorted OMgMn3 tetrahedra that share corners with two equivalent OMgMn3 tetrahedra, a cornercorner with one OMg2Mn3 trigonal bipyramid, and edges with two equivalent OMg2Mn3 trigonal bipyramids. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn3+ atoms. In the third O2- site, O2- is bonded in a square co-planar geometry to two equivalent Mg2+ and two equivalent Mn3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent Mn3+ atoms to form distorted OMg2Mn3 trigonal bipyramids that share a cornercorner with one OMgMn3 tetrahedra, edges with two equivalent OMgMn3 tetrahedra, and edges with four equivalent OMg2Mn3 trigonal bipyramids.
DOI: 10.17188/1318585
title: Materials Data on MgCr2O4 by Materials Project

description: MgCr2O4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with six CrO6 octahedra, edges with three equivalent CrO6 octahedra, edges with two equivalent MgO5 square pyramids, and a faceface with one CrO6 octahedra. The corner-sharing octahedra tilt angles range from 7–59°. There are three shorter (2.06 Å) and two longer (2.08 Å) Mg–O bond lengths. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent CrO6 octahedra, corners with two equivalent MgO5 square pyramids, edges with four equivalent CrO6 octahedra, and edges with three equivalent MgO5 square pyramids. The corner-sharing octahedra tilt angles range from 49–56°. There are a spread of Cr–O bond distances ranging from 1.95–2.21 Å. In the second Cr3+ site, Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent CrO6 octahedra, corners with four equivalent MgO5 square pyramids, edges with four equivalent CrO6 octahedra, and a faceface with one MgO5 square pyramid. The corner-sharing octahedra tilt angles range from 49–56°. There are a spread of Cr–O bond distances ranging from 1.95–2.17 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+ and three Cr3+ atoms to form OMgCr3 trigonal pyramids that share corners with two equivalent OMg2Cr3 square pyramids, a cornercorner with one OMg2Cr3 trigonal bipyramid, corners with two equivalent OMgCr3 trigonal pyramids, edges with three equivalent OMg2Cr3 square pyramids, and edges with two equivalent OMg2Cr3 trigonal bipyramids. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Cr3+ atoms. In the third O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent Cr3+ atoms to form OMg2Cr3 square pyramids that share corners with two equivalent OMg2Cr3 trigonal bipyramids, corners with two equivalent OMgCr3 trigonal pyramids, edges with four equivalent OMg2Cr3 square pyramids, an edgeedge with one OMg2Cr3 trigonal bipyramid, and edges with three equivalent OMgCr3 trigonal pyramids. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent Cr3+ atoms to form distorted OMg2Cr3 trigonal bipyramids that share corners with two equivalent OMg2Cr3 square pyramids, a cornercorner with one OMgCr3 trigonal pyramid, an edgeedge with one OMg2Cr3 square pyramid, edges with four equivalent OMg2Cr3 trigonal bipyramids, and edges with two equivalent OMgCr3 trigonal pyramids.