cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1290223
title: Materials Data on HfPbO3 by Materials Project

description: PbHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf4+ is bonded to six O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedra tilt angles range from 19–22°. All Hf–O bond lengths are 2.10 Å. Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.57–3.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ and three equivalent Pb2+ atoms.
DOI: 10.17188/1290224
title: Materials Data on LuGaO3 by Materials Project

description: LuGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.18–2.71 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–41°. There are two shorter (1.99 Å) and four longer (2.02 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Ga3+ atoms to form distorted corner-sharing OLu2Ga2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Lu3+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1290225
title: Materials Data on Rb3LuO3 by Materials Project

description: Rb3LuO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.50 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.95 Å) and two longer (3.15 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.72–3.18 Å. Lu3+ is bonded to four O2- atoms to form edge-sharing LuO4 tetrahedra. There are a spread of Lu–O bond distances ranging from 2.07–2.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Lu3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Rb1+ and two equivalent Lu3+ atoms.
DOI: 10.17188/1290226
title: Materials Data on Li2FeS2 by Materials Project

description: Li2FeS2 is Corundum-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are one shorter (2.47 Å) and three longer (2.50 Å) Li–S bond lengths. Fe2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.34 Å) and two longer (2.37 Å) Fe–S bond lengths. S2- is bonded to four equivalent Li1+ and two equivalent Fe2+ atoms to form a mixture of edge and corner-sharing SLi4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–74°.
DOI: 10.17188/1290227
title: Materials Data on LiTi8O13 by Materials Project

description: LiTi8O13 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.76 Å. There are two inequivalent Ti+3.12+ sites. In the first Ti+3.12+ site, Ti+3.12+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–14°. There are a spread of Ti–O bond distances ranging from 1.95–2.13 Å. In the second Ti+3.12+ site, Ti+3.12+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are three shorter (1.91 Å) and three longer (2.12 Å) Ti–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an octahedral geometry to six equivalent Ti+3.12+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Ti+3.12+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+ and three Ti+3.12+ atoms.
DOI: 10.17188/1290228
title: Materials Data on ZrPbO3 by Materials Project

description: PbZrO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 25°. All Zr–O bond lengths are 2.14 Å. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 25°. All Zr–O bond lengths are 2.14 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.54–2.96 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.54–2.96 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ and two Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Zr4+ and three Pb2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Zr4+ and three Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ and two Pb2+ atoms.
DOI: 10.17188/1290229
title: Materials Data on TaGe2 by Materials Project

description: TaGe2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Ta is bonded in a 10-coordinate geometry to ten equivalent Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.70–2.91 Å. Ge is bonded in a 10-coordinate geometry to five equivalent Ta and five equivalent Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.68–2.91 Å.
DOI: 10.17188/1290230
title: Materials Data on K2MgO2 by Materials Project

description: K2MgO2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.89 Å. Mg2+ is bonded to four equivalent O2- atoms to form distorted edge-sharing MgO4 tetrahedra. There are two shorter (2.01 Å) and two longer (2.04 Å) Mg–O bond lengths. O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Mg2+ atoms.
DOI: 10.17188/1290231
title: Materials Data on Lu6TeO12 by Materials Project

description: Lu6TeO12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.15–2.74 Å. Te6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Te–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Lu3+ and one Te6+ atom. In the second O2- site, O2- is bonded to four equivalent Lu3+ atoms to form a mixture of corner and edge-sharing OLu4 tetrahedra.
DOI: 10.17188/1290232
title: Materials Data on Sc(CuO2)2 by Materials Project

description: Sc(CuO2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sc3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sc–O bond distances ranging from 2.23–2.31 Å. There are two inequivalent Cu+2.50+ sites. In the first Cu+2.50+ site, Cu+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.89 Å) and two longer (1.92 Å) Cu–O bond length. In the second Cu+2.50+ site, Cu+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.89 Å) and two longer (1.91 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sc3+ and two Cu+2.50+ atoms to form a mixture of distorted edge and corner-sharing OSc2Cu2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Sc3+ and two Cu+2.50+ atoms to form a mixture of distorted edge and corner-sharing OSc2Cu2 tetrahedra.
DOI: 10.17188/1290234
title: Materials Data on Sc6N2O5 by Materials Project

description: Sc6N2O5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Sc+2.67+ sites. In the first Sc+2.67+ site, Sc+2.67+ is bonded to two equivalent N3- and four O2- atoms to form a mixture of corner and edge-sharing ScN2O4 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are one shorter (2.16 Å) and one longer (2.29 Å) Sc–N bond lengths. There are a spread of Sc–O bond distances ranging from 2.17–2.22 Å. In the second Sc+2.67+ site, Sc+2.67+ is bonded to one N3- and five O2- atoms to form a mixture of corner and edge-sharing ScNO5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Sc–N bond length is 2.21 Å. There are a spread of Sc–O bond distances ranging from 2.17–2.26 Å. In the third Sc+2.67+ site, Sc+2.67+ is bonded to three equivalent N3- and three O2- atoms to form a mixture of corner and edge-sharing ScN3O3 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are two shorter (2.21 Å) and one longer (2.23 Å) Sc–N bond lengths. There are a spread of Sc–O bond distances ranging from 2.18–2.28 Å. N3- is bonded to six Sc+2.67+ atoms to form NSc6 octahedra that share corners with two equivalent NSc6 octahedra, corners with three OSc5 square pyramids, edges with three equivalent NSc6 octahedra, and edges with eight OSc5 square pyramids. The corner-sharing octahedral tilt angles are 2°. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Sc+2.67+ atoms to form OSc5 square pyramids that share a cornercorner with one NSc6 octahedra, corners with five OSc5 square pyramids, edges with five equivalent NSc6 octahedra, and edges with three OSc5 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the second O2- site, O2- is bonded in a square co-planar geometry to four Sc+2.67+ atoms. In the third O2- site, O2- is bonded to five Sc+2.67+ atoms to form OSc5 square pyramids that share corners with two equivalent NSc6 octahedra, corners with five OSc5 square pyramids, edges with three equivalent NSc6 octahedra, and edges with four OSc5 square pyramids. The corner-sharing octahedra tilt angles range from 0–1°.
DOI: 10.17188/1290235
title: Materials Data on NdO2 by Materials Project

description: NdO2 is Baddeleyite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd is bonded to seven O atoms to form a mixture of distorted corner and edge-sharing NdO7 pentagonal bipyramids. There are a spread of Nd–O bond distances ranging from 2.37–2.48 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd atoms. In the second O site, O is bonded to four equivalent Nd atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.
DOI: 10.17188/1290236
title: Materials Data on Li5Cu(PO4)2 by Materials Project

description: Li5Cu(PO4)2 is beta beryllia-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four PO4 tetrahedra and corners with eight LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.99–2.07 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent CuO4 tetrahedra, corners with four PO4 tetrahedra, and corners with six LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.00 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent CuO4 tetrahedra, corners with four PO4 tetrahedra, and corners with six LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.01 Å. Cu1+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with four PO4 tetrahedra and corners with eight LiO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 2.08–2.18 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CuO4 tetrahedra and corners with ten LiO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CuO4 tetrahedra and corners with ten LiO4 tetrahedra. All P–O bond lengths are 1.56 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and one P5+ atom to form distorted corner-sharing OLi3P tetrahedra. In the second O2- site, O2- is bonded to three Li1+ and one P5+ atom to form corner-sharing OLi3P tetrahedra. In the third O2- site, O2- is bonded to two Li1+, one Cu1+, and one P5+ atom to form distorted corner-sharing OLi2CuP tetrahedra. In the fourth O2- site, O2- is bonded to three Li1+ and one P5+ atom to form corner-sharing OLi3P tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Li1+, one Cu1+, and one P5+ atom to form distorted corner-sharing OLi2CuP tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Cu1+, and one P5+ atom.
DOI: 10.17188/1290237
title: Materials Data on BSbO3 by Materials Project

description: BSbO3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two BSbO3 sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one B3+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one Sb3+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one Sb3+ atom.
DOI: 10.17188/1290238
title: Materials Data on BrClO by Materials Project

description: BrOCl crystallizes in the trigonal R-3 space group. The structure is one-dimensional and consists of six BrOCl ribbons oriented in the (0, 0, 1) direction. O is bonded in a distorted bent 120 degrees geometry to two equivalent Br atoms. There are one shorter (1.76 Å) and one longer (2.33 Å) O–Br bond lengths. Br is bonded in a 3-coordinate geometry to two equivalent O and one Cl atom. The Br–Cl bond length is 2.29 Å. Cl is bonded in a single-bond geometry to one Br atom.
DOI: 10.17188/1290239
title: Materials Data on Na5GdO4 by Materials Project

description: Na5GdO4 is Ilmenite-like structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 trigonal pyramids that share corners with two equivalent NaO4 tetrahedra, corners with two equivalent GdO4 tetrahedra, corners with eight equivalent NaO4 trigonal pyramids, an edgeedge with one NaO4 tetrahedra, an edgeedge with one GdO4 tetrahedra, and edges with two equivalent NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.32–2.63 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share corners with four equivalent GdO4 tetrahedra, corners with eight equivalent NaO4 trigonal pyramids, and edges with four equivalent NaO4 trigonal pyramids. There are two shorter (2.35 Å) and two longer (2.42 Å) Na–O bond lengths. Gd3+ is bonded to four O2- atoms to form GdO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra, corners with eight equivalent NaO4 trigonal pyramids, and edges with four equivalent NaO4 trigonal pyramids. There are two shorter (2.17 Å) and two longer (2.20 Å) Gd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Gd3+ atom to form a mixture of edge and corner-sharing ONa5Gd octahedra. The corner-sharing octahedra tilt angles range from 60–64°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Gd3+ atom.
DOI: 10.17188/1290240
title: Materials Data on AgSnO3 by Materials Project

description: AgSnO3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) Ag–O bond lengths. In the second Ag2+ site, Ag2+ is bonded to eight O2- atoms to form distorted AgO8 hexagonal bipyramids that share edges with two equivalent AgO8 hexagonal bipyramids and edges with eight equivalent SnO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.49–2.69 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent SnO6 octahedra, edges with four equivalent AgO8 hexagonal bipyramids, and edges with two equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.06 Å) and four longer (2.13 Å) Sn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Ag2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag2+ and two equivalent Sn4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Ag2+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1290241
title: Materials Data on LiBiB2O5 by Materials Project

description: LiB2BiO5 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.84–1.99 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.42–1.56 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.51 Å. Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.91 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+, one B3+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one B3+, and three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two B3+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, two equivalent B3+, and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent B3+ and one Bi3+ atom.
DOI: 10.17188/1290242
title: Materials Data on Nb2SbO6 by Materials Project

description: Nb2SbO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb+4.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 37–54°. There are a spread of Nb–O bond distances ranging from 1.88–2.22 Å. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.04 Å) and two longer (2.24 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Nb+4.50+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb+4.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb+4.50+ and two equivalent Sb3+ atoms.
DOI: 10.17188/1290243
title: Materials Data on Hg(BiO3)2 by Materials Project

description: Hg(BiO3)2 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Hg2+ is bonded to six O2- atoms to form HgO6 octahedra that share corners with eight equivalent BiO6 octahedra and edges with two equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are two shorter (2.27 Å) and four longer (2.34 Å) Hg–O bond lengths. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent HgO6 octahedra, corners with four equivalent BiO6 octahedra, an edgeedge with one HgO6 octahedra, and an edgeedge with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Bi–O bond distances ranging from 2.16–2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Hg2+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two equivalent Bi5+ atoms.
DOI: 10.17188/1290244
title: Materials Data on Mg2SnO4 by Materials Project

description: Mg2SnO4 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 2.04–2.75 Å. Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are two shorter (2.08 Å) and four longer (2.09 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Mg2+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OMg4Sn trigonal bipyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and two equivalent Sn4+ atoms.