cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1194371
title: Materials Data on BaDy2CoO5 by Materials Project

description: Dy2BaCoO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.32 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with five equivalent CoO5 trigonal bipyramids, edges with five DyO7 pentagonal bipyramids, an edgeedge with one CoO5 trigonal bipyramid, and a faceface with one DyO7 pentagonal bipyramid. There are a spread of Dy–O bond distances ranging from 2.32–2.38 Å. In the second Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with four equivalent DyO7 pentagonal bipyramids, edges with three equivalent DyO7 pentagonal bipyramids, edges with two equivalent CoO5 trigonal bipyramids, a faceface with one DyO7 pentagonal bipyramid, and a faceface with one CoO5 trigonal bipyramid. There are a spread of Dy–O bond distances ranging from 2.32–2.39 Å. Co2+ is bonded to five O2- atoms to form CoO5 trigonal bipyramids that share corners with five equivalent DyO7 pentagonal bipyramids, edges with three DyO7 pentagonal bipyramids, and a faceface with one DyO7 pentagonal bipyramid. There are a spread of Co–O bond distances ranging from 2.01–2.12 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ba2+, two Dy3+, and one Co2+ atom to form a mixture of distorted corner and edge-sharing OBa3Dy2Co octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three Dy3+, and one Co2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, three Dy3+, and one Co2+ atom.
DOI: 10.17188/1194372
title: Materials Data on Ba3V2O8 by Materials Project

description: Ba3(VO4)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.63–3.01 Å. In the second Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.80 Å. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.73 Å) and three longer (1.75 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Ba2+ and one V5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Ba2+ and one V5+ atom.
DOI: 10.17188/1194373
title: Materials Data on Lu(FeO2)2 by Materials Project

description: LuFe2O4 is Aluminum carbonitride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent O2- atoms to form distorted LuO6 octahedra that share corners with six equivalent FeO5 trigonal bipyramids and edges with six equivalent LuO6 octahedra. There are four shorter (2.24 Å) and two longer (2.26 Å) Lu–O bond lengths. Fe+2.50+ is bonded to five O2- atoms to form FeO5 trigonal bipyramids that share corners with three equivalent LuO6 octahedra, corners with six equivalent FeO5 trigonal bipyramids, and edges with three equivalent FeO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There are a spread of Fe–O bond distances ranging from 2.00–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Fe+2.50+ atoms to form OFe4 trigonal pyramids that share corners with four equivalent OLu3Fe tetrahedra, corners with six equivalent OFe4 trigonal pyramids, and edges with three equivalent OFe4 trigonal pyramids. In the second O2- site, O2- is bonded to three equivalent Lu3+ and one Fe+2.50+ atom to form OLu3Fe tetrahedra that share corners with nine equivalent OLu3Fe tetrahedra, corners with four equivalent OFe4 trigonal pyramids, and edges with three equivalent OLu3Fe tetrahedra.
DOI: 10.17188/1194374
title: Materials Data on NaCr(SiO3)2 by Materials Project

description: NaCrSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.89 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.98–2.09 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent CrO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 34–60°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Na1+, one Cr3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Cr3+, and one Si4+ atom.
DOI: 10.17188/1194376
title: Materials Data on Ti2CrO5 by Materials Project

description: CrTi2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.82–2.32 Å. Cr2+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Cr–O bond distances ranging from 2.07–2.27 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ti4+ and two equivalent Cr2+ atoms to form distorted OTi2Cr2 trigonal pyramids that share corners with four OTi2Cr2 trigonal pyramids and edges with four equivalent OTi3Cr trigonal pyramids. In the second O2- site, O2- is bonded to three equivalent Ti4+ and one Cr2+ atom to form a mixture of distorted corner and edge-sharing OTi3Cr trigonal pyramids. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ti4+ and one Cr2+ atom.
DOI: 10.17188/1194377
title: Materials Data on YbCu by Materials Project

description: YbCu crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 7-coordinate geometry to seven equivalent Cu atoms. There are a spread of Yb–Cu bond distances ranging from 2.90–3.08 Å. Cu is bonded in a 9-coordinate geometry to seven equivalent Yb and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.54 Å.
DOI: 10.17188/1194378
title: Materials Data on LaCoPO by Materials Project

description: LaCoPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CoP sheet oriented in the (0, 0, 1) direction and one LaO sheet oriented in the (0, 0, 1) direction. In the CoP sheet, Co2+ is bonded to four equivalent P3- atoms to form a mixture of distorted edge and corner-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.22 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Co2+ atoms. In the LaO sheet, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All La–O bond lengths are 2.36 Å. O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.
DOI: 10.17188/1194379
title: Materials Data on WO2 by Materials Project

description: WO2 is Hydrophilite-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. W4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (2.04 Å) and four longer (2.11 Å) W–O bond lengths. O2- is bonded in a distorted trigonal planar geometry to three equivalent W4+ atoms.
DOI: 10.17188/1194380
title: Materials Data on LiVO3 by Materials Project

description: LiVO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent LiO6 octahedra. There are a spread of Li–O bond distances ranging from 2.05–2.33 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.02–2.64 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent LiO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–64°. There are a spread of V–O bond distances ranging from 1.66–1.84 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 V5+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one V5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Li1+ and one V5+ atom.
DOI: 10.17188/1194381
title: Materials Data on K2SrNi(NO2)6 by Materials Project

description: K2Sr(NO2)6Ni crystallizes in the cubic Fm-3 space group. The structure is three-dimensional and consists of four nickel molecules and one K2Sr(NO2)6 framework. In the K2Sr(NO2)6 framework, K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra and faces with four equivalent SrO12 cuboctahedra. All K–O bond lengths are 3.12 Å. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share faces with eight equivalent KO12 cuboctahedra. All Sr–O bond lengths are 2.78 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.26 Å. O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sr2+, and one N3+ atom.
DOI: 10.17188/1194382
title: Materials Data on CeCrSe2O by Materials Project

description: CeCrSe2O crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce3+ is bonded in a 3-coordinate geometry to three equivalent Se2- and three equivalent O2- atoms. There are two shorter (3.16 Å) and one longer (3.25 Å) Ce–Se bond lengths. There are two shorter (2.33 Å) and one longer (2.42 Å) Ce–O bond lengths. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six Se2- atoms to form CrSe6 octahedra that share corners with four equivalent CrSe4O2 octahedra and edges with two equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.57 Å) and four longer (2.60 Å) Cr–Se bond lengths. In the second Cr3+ site, Cr3+ is bonded to four equivalent Se2- and two equivalent O2- atoms to form distorted CrSe4O2 octahedra that share corners with four equivalent CrSe6 octahedra and edges with two equivalent CrSe4O2 octahedra. The corner-sharing octahedral tilt angles are 55°. All Cr–Se bond lengths are 2.67 Å. Both Cr–O bond lengths are 2.06 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Ce3+ and two equivalent Cr3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Cr3+ atoms. O2- is bonded to three equivalent Ce3+ and one Cr3+ atom to form a mixture of edge and corner-sharing OCe3Cr tetrahedra.
DOI: 10.17188/1194383
title: Materials Data on TiMnO3 by Materials Project

description: MnTiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are three shorter (1.87 Å) and three longer (2.18 Å) Ti–O bond lengths. Mn2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.15 Å) and three longer (2.28 Å) Mn–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ti4+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1194384
title: Materials Data on LiLa2MoO6 by Materials Project

description: LiLa2MoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Li–O bond distances ranging from 2.15–2.25 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.88 Å. Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Mo–O bond distances ranging from 1.96–2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent La3+, and one Mo5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent La3+, and one Mo5+ atom. In the third O2- site, O2- is bonded to one Li1+, two equivalent La3+, and one Mo5+ atom to form distorted corner-sharing OLiLa2Mo tetrahedra.
DOI: 10.17188/1194385
title: Materials Data on CrAgO2 by Materials Project

description: AgCrO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form edge-sharing CrO6 octahedra. All Cr–O bond lengths are 2.03 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.12 Å. O2- is bonded to three equivalent Cr3+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing OCr3Ag tetrahedra.
DOI: 10.17188/1194386
title: Materials Data on CoSO4 by Materials Project

description: CoSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.00–2.30 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Co2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Co2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co2+ and one S6+ atom.
DOI: 10.17188/1194387
title: Materials Data on Al2O3 by Materials Project

description: Al2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form a mixture of face, edge, and corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 51–71°. There are a spread of Al–O bond distances ranging from 1.87–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids.
DOI: 10.17188/1194388
title: Materials Data on CrHgO4 by Materials Project

description: CrHgO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with six equivalent HgO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There is two shorter (1.64 Å) and two longer (1.71 Å) Cr–O bond length. Hg2+ is bonded to six O2- atoms to form HgO6 octahedra that share corners with six equivalent CrO4 tetrahedra and edges with two equivalent HgO6 octahedra. There are four shorter (2.37 Å) and two longer (2.38 Å) Hg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr6+ and two equivalent Hg2+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cr6+ and one Hg2+ atom.
DOI: 10.17188/1194389
title: Materials Data on DyCrO3 by Materials Project

description: DyCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.24–2.71 Å. Cr3+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 35–37°. There are four shorter (2.02 Å) and two longer (2.03 Å) Cr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+ and two equivalent Cr3+ atoms. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Cr3+ atoms to form distorted corner-sharing ODy2Cr2 trigonal pyramids.
DOI: 10.17188/1194390
title: Materials Data on Ti4Mn(PO4)6 by Materials Project

description: Ti4Mn(PO4)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.87 Å) and three longer (2.08 Å) Ti–O bond length. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.92 Å) and three longer (1.98 Å) Ti–O bond length. Mn2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Mn–O bond lengths are 2.27 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four TiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–44°. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+, one Mn2+, and one P5+ atom.
DOI: 10.17188/1194391
title: Materials Data on Ni(AsO3)2 by Materials Project

description: NiAs2O6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Ni–O bond lengths are 2.14 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent NiO6 octahedra and edges with three equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All As–O bond lengths are 1.86 Å. O2- is bonded in a distorted trigonal planar geometry to one Ni2+ and two equivalent As5+ atoms.
DOI: 10.17188/1194392
title: Materials Data on YMnO3 by Materials Project

description: YMnO3 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 MnO5 trigonal bipyramids, edges with six YO7 pentagonal bipyramids, and edges with three equivalent MnO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.30–2.45 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 MnO5 trigonal bipyramids, edges with six equivalent YO7 pentagonal bipyramids, and edges with three equivalent MnO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.31–2.35 Å. Mn3+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share corners with three YO7 pentagonal bipyramids, corners with six equivalent MnO5 trigonal bipyramids, and edges with three YO7 pentagonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.91–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Y3+ and three equivalent Mn3+ atoms to form OYMn3 trigonal pyramids that share corners with six equivalent OY3Mn tetrahedra, corners with six OYMn3 trigonal pyramids, and edges with three equivalent OY3Mn tetrahedra. In the second O2- site, O2- is bonded to one Y3+ and three equivalent Mn3+ atoms to form OYMn3 trigonal pyramids that share corners with six equivalent OY3Mn tetrahedra, corners with six equivalent OYMn3 trigonal pyramids, and edges with three equivalent OY3Mn tetrahedra. In the third O2- site, O2- is bonded to three Y3+ and one Mn3+ atom to form distorted OY3Mn tetrahedra that share corners with ten OY3Mn tetrahedra, corners with four equivalent OYMn3 trigonal pyramids, edges with three equivalent OY3Mn tetrahedra, and an edgeedge with one OYMn3 trigonal pyramid. In the fourth O2- site, O2- is bonded to three Y3+ and one Mn3+ atom to form OY3Mn tetrahedra that share corners with ten OY3Mn tetrahedra, corners with two equivalent OYMn3 trigonal pyramids, edges with three equivalent OY3Mn tetrahedra, and edges with two equivalent OYMn3 trigonal pyramids.
DOI: 10.17188/1194393
title: Materials Data on Sr3V2O8 by Materials Project

description: Sr3(VO4)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.93 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.64 Å. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.72 Å) and three longer (1.75 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one V5+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Sr2+ and one V5+ atom.