cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1320689
title: Materials Data on ZnFeF5 by Materials Project

description: ZnFeF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Fe–F bond distances ranging from 1.92–2.00 Å. Zn2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Zn–F bond distances ranging from 1.96–2.61 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Fe3+ and two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Fe3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Fe3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Fe3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Fe3+ and one Zn2+ atom.
DOI: 10.17188/1320690
title: Materials Data on CaNiF5 by Materials Project

description: CaNiF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded to seven F1- atoms to form CaF7 pentagonal bipyramids that share corners with four equivalent NiF6 octahedra, edges with two equivalent NiF6 octahedra, and edges with two equivalent CaF7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 14–44°. There are a spread of Ca–F bond distances ranging from 2.23–2.44 Å. Ni3+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with two equivalent NiF6 octahedra, corners with four equivalent CaF7 pentagonal bipyramids, and edges with two equivalent CaF7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. There are a spread of Ni–F bond distances ranging from 1.85–2.00 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca2+ and one Ni3+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Ni3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Ca2+ and one Ni3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Ca2+ and one Ni3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Ca2+ and two equivalent Ni3+ atoms.
DOI: 10.17188/1320691
title: Materials Data on MnZnF5 by Materials Project

description: MnZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Mn–F bond distances ranging from 1.85–2.16 Å. Zn2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.98–2.08 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mn3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mn3+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mn3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Mn3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Mn3+ and one Zn2+ atom.
DOI: 10.17188/1320692
title: Materials Data on ZnNiF5 by Materials Project

description: NiZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ni3+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with two equivalent NiF6 octahedra, corners with four equivalent ZnF7 pentagonal bipyramids, and edges with two equivalent ZnF7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Ni–F bond distances ranging from 1.86–1.98 Å. Zn2+ is bonded to seven F1- atoms to form distorted ZnF7 pentagonal bipyramids that share corners with four equivalent NiF6 octahedra, edges with two equivalent NiF6 octahedra, and edges with two equivalent ZnF7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 16–44°. There are a spread of Zn–F bond distances ranging from 1.98–2.41 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Ni3+ and two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Ni3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Ni3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Ni3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ni3+ and one Zn2+ atom.
DOI: 10.17188/1320693
title: Materials Data on MgWF5 by Materials Project

description: MgWF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to six F1- atoms. There are a spread of Mg–F bond distances ranging from 1.92–2.65 Å. W3+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–F bond distances ranging from 2.07–2.14 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one W3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one W3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one W3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Mg2+ and one W3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent W3+ atoms.
DOI: 10.17188/1320694
title: Materials Data on VF5 (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: 10.17188/1320695
title: Materials Data on MgMoF5 by Materials Project

description: MgMoF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Mg–F bond distances ranging from 1.92–2.55 Å. Mo3+ is bonded to six F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Mo–F bond distances ranging from 2.06–2.13 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Mo3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Mo3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one Mo3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Mo3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent Mo3+ atoms.
DOI: 10.17188/1320696
title: Materials Data on YFeO3 by Materials Project

description: YFeO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.29–2.52 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent FeO5 trigonal bipyramids and edges with three equivalent FeO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.30–2.39 Å. Fe3+ is bonded to five O2- atoms to form FeO5 trigonal bipyramids that share a cornercorner with one YO7 pentagonal bipyramid, corners with six equivalent FeO5 trigonal bipyramids, and an edgeedge with one YO7 pentagonal bipyramid. There are a spread of Fe–O bond distances ranging from 1.94–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Y3+ and three equivalent Fe3+ atoms to form distorted OYFe3 trigonal pyramids that share corners with six equivalent OY3Fe tetrahedra, corners with six OYFe3 trigonal pyramids, and edges with three equivalent OY3Fe tetrahedra. In the second O2- site, O2- is bonded to one Y3+ and three equivalent Fe3+ atoms to form OYFe3 trigonal pyramids that share corners with six equivalent OY3Fe tetrahedra, corners with six equivalent OYFe3 trigonal pyramids, and edges with three equivalent OY3Fe tetrahedra. In the third O2- site, O2- is bonded to three Y3+ and one Fe3+ atom to form distorted OY3Fe tetrahedra that share corners with ten OY3Fe tetrahedra, corners with four equivalent OYFe3 trigonal pyramids, edges with three equivalent OY3Fe tetrahedra, and an edgeedge with one OYFe3 trigonal pyramid. In the fourth O2- site, O2- is bonded to three Y3+ and one Fe3+ atom to form OY3Fe tetrahedra that share corners with ten OY3Fe tetrahedra, corners with two equivalent OYFe3 trigonal pyramids, edges with three equivalent OY3Fe tetrahedra, and edges with two equivalent OYFe3 trigonal pyramids.
DOI: 10.17188/1320697
title: Materials Data on Mg2Bi2O5 by Materials Project

description: Mg2Bi2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.02–2.44 Å. Bi3+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.13–2.73 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Bi3+ atoms to form distorted OMg4Bi2 octahedra that share corners with eight equivalent OMg2Bi2 tetrahedra, edges with two equivalent OMg4Bi2 octahedra, edges with two equivalent OMg2Bi2 tetrahedra, and faces with four equivalent OMg2Bi2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Bi3+ atoms to form distorted OMg2Bi2 tetrahedra that share corners with four equivalent OMg4Bi2 octahedra, corners with four equivalent OMg2Bi2 tetrahedra, corners with eight equivalent OMg2Bi2 trigonal pyramids, and an edgeedge with one OMg4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 2–71°. In the third O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Bi3+ atoms to form distorted OMg2Bi2 trigonal pyramids that share corners with eight equivalent OMg2Bi2 tetrahedra, corners with two equivalent OMg2Bi2 trigonal pyramids, an edgeedge with one OMg2Bi2 trigonal pyramid, and faces with two equivalent OMg4Bi2 octahedra.
DOI: 10.17188/1320699
title: Materials Data on ZnWF5 by Materials Project

description: WZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W3+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of W–F bond distances ranging from 2.11–2.13 Å. Zn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.93–2.55 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one W3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one W3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one W3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one W3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent W3+ atoms.
DOI: 10.17188/1320700
title: Materials Data on ZnMoF5 by Materials Project

description: MoZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mo3+ is bonded to six F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are five shorter (2.10 Å) and one longer (2.11 Å) Mo–F bond lengths. Zn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.93–2.54 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Mo3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Mo3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mo3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one Mo3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mo3+ atoms.
DOI: 10.17188/1320701
title: Materials Data on Mg2Cu2O5 by Materials Project

description: Mg2Cu2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.09–2.45 Å. Cu3+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.90–2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Cu3+ atoms to form distorted OMg4Cu2 octahedra that share corners with eight equivalent OMg2Cu2 tetrahedra, corners with four equivalent OMg3Cu2 trigonal bipyramids, edges with two equivalent OMg4Cu2 octahedra, edges with two equivalent OMg2Cu2 tetrahedra, and faces with four equivalent OMg3Cu2 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Cu3+ atoms to form OMg2Cu2 tetrahedra that share corners with four equivalent OMg4Cu2 octahedra, corners with four equivalent OMg2Cu2 tetrahedra, corners with six equivalent OMg3Cu2 trigonal bipyramids, an edgeedge with one OMg4Cu2 octahedra, and edges with two equivalent OMg3Cu2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 12–59°. In the third O2- site, O2- is bonded to three equivalent Mg2+ and two equivalent Cu3+ atoms to form distorted OMg3Cu2 trigonal bipyramids that share corners with two equivalent OMg4Cu2 octahedra, corners with six equivalent OMg2Cu2 tetrahedra, corners with four equivalent OMg3Cu2 trigonal bipyramids, edges with two equivalent OMg2Cu2 tetrahedra, edges with two equivalent OMg3Cu2 trigonal bipyramids, and faces with two equivalent OMg4Cu2 octahedra. The corner-sharing octahedral tilt angles are 64°.
DOI: 10.17188/1320702
title: Materials Data on Mg2Ti2O5 by Materials Project

description: Mg2Ti2O5 is Aluminum carbonitride-like structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.63 Å. In the second Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.63 Å. There are two inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ti–O bond distances ranging from 1.91–2.31 Å. In the second Ti3+ site, Ti3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ti–O bond distances ranging from 1.91–2.30 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ti3+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and two Ti3+ atoms to form a mixture of distorted edge and corner-sharing OMg2Ti2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Mg2+ and two Ti3+ atoms to form a mixture of distorted edge and corner-sharing OMg2Ti2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Ti3+ atoms to form a mixture of edge and corner-sharing OMg2Ti2 tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Ti3+ atoms to form a mixture of edge and corner-sharing OMg2Ti2 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ti3+ atoms.
DOI: 10.17188/1320703
title: Materials Data on MgNiF5 by Materials Project

description: MgNiF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Mg–F bond distances ranging from 1.97–2.48 Å. Ni3+ is bonded to six F1- atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Ni–F bond distances ranging from 1.84–1.99 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and one Ni3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and one Ni3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one Ni3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Ni3+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Ni3+ atoms.
DOI: 10.17188/1320704
title: Materials Data on YCoO3 by Materials Project

description: YCoO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent CoO5 trigonal bipyramids, edges with six YO7 pentagonal bipyramids, and edges with three equivalent CoO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.27–2.38 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent CoO5 trigonal bipyramids, edges with six equivalent YO7 pentagonal bipyramids, and edges with three equivalent CoO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.28–2.35 Å. Co3+ is bonded to five O2- atoms to form CoO5 trigonal bipyramids that share corners with three YO7 pentagonal bipyramids, corners with six equivalent CoO5 trigonal bipyramids, and edges with three YO7 pentagonal bipyramids. There are a spread of Co–O bond distances ranging from 1.83–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Y3+ and three equivalent Co3+ atoms to form OYCo3 trigonal pyramids that share corners with six equivalent OY3Co tetrahedra, corners with six OYCo3 trigonal pyramids, and edges with three equivalent OY3Co tetrahedra. In the second O2- site, O2- is bonded to one Y3+ and three equivalent Co3+ atoms to form OYCo3 trigonal pyramids that share corners with six equivalent OY3Co tetrahedra, corners with six equivalent OYCo3 trigonal pyramids, and edges with three equivalent OY3Co tetrahedra. In the third O2- site, O2- is bonded to three Y3+ and one Co3+ atom to form distorted OY3Co tetrahedra that share corners with ten OY3Co tetrahedra, corners with four equivalent OYCo3 trigonal pyramids, edges with three equivalent OY3Co tetrahedra, and an edgeedge with one OYCo3 trigonal pyramid. In the fourth O2- site, O2- is bonded to three Y3+ and one Co3+ atom to form OY3Co tetrahedra that share corners with ten OY3Co tetrahedra, corners with two equivalent OYCo3 trigonal pyramids, edges with three equivalent OY3Co tetrahedra, and edges with two equivalent OYCo3 trigonal pyramids.
DOI: 10.17188/1320705
title: Materials Data on Mg2Ag2O5 by Materials Project

description: Mg2Ag2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.14–2.43 Å. Ag3+ is bonded to five O2- atoms to form distorted corner-sharing AgO5 square pyramids. There are a spread of Ag–O bond distances ranging from 2.06–2.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Mg2+ and two equivalent Ag3+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Ag3+ atoms to form distorted corner-sharing OMg2Ag2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Ag3+ atoms to form a mixture of distorted corner and edge-sharing OMg2Ag2 trigonal pyramids.
DOI: 10.17188/1320706
title: Materials Data on YCrO3 by Materials Project

description: YCrO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.58 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent CrO5 trigonal bipyramids and edges with three equivalent CrO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.30–2.44 Å. Cr3+ is bonded to five O2- atoms to form CrO5 trigonal bipyramids that share a cornercorner with one YO7 pentagonal bipyramid, corners with six equivalent CrO5 trigonal bipyramids, and an edgeedge with one YO7 pentagonal bipyramid. There are a spread of Cr–O bond distances ranging from 1.96–2.05 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Y3+ and three equivalent Cr3+ atoms to form distorted OYCr3 trigonal pyramids that share corners with six equivalent OY3Cr tetrahedra, corners with six OYCr3 trigonal pyramids, and edges with three equivalent OY3Cr tetrahedra. In the second O2- site, O2- is bonded to one Y3+ and three equivalent Cr3+ atoms to form distorted OYCr3 trigonal pyramids that share corners with six equivalent OY3Cr tetrahedra, corners with six equivalent OYCr3 trigonal pyramids, and edges with three equivalent OY3Cr tetrahedra. In the third O2- site, O2- is bonded to three Y3+ and one Cr3+ atom to form distorted OY3Cr tetrahedra that share corners with ten OY3Cr tetrahedra, corners with four equivalent OYCr3 trigonal pyramids, edges with three equivalent OY3Cr tetrahedra, and an edgeedge with one OYCr3 trigonal pyramid. In the fourth O2- site, O2- is bonded to three Y3+ and one Cr3+ atom to form OY3Cr tetrahedra that share corners with ten OY3Cr tetrahedra, corners with two equivalent OYCr3 trigonal pyramids, edges with three equivalent OY3Cr tetrahedra, and edges with two equivalent OYCr3 trigonal pyramids.