cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1289916
title: Materials Data on NdAsO4 by Materials Project

description: NdAsO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.42 Å) and four longer (2.53 Å) Nd–O bond lengths. As5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All As–O bond lengths are 1.72 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one As5+ atom.
DOI: 10.17188/1289957
title: Materials Data on LuAlO3 by Materials Project

description: LuAlO3 crystallizes in the hexagonal P6_3/mmc 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 AlO5 trigonal bipyramids and edges with six equivalent LuO6 octahedra. All Lu–O bond lengths are 2.21 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with six equivalent LuO6 octahedra and corners with six equivalent AlO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There is two shorter (1.84 Å) and three longer (1.96 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Lu3+ and one Al3+ atom to form a mixture of distorted corner and edge-sharing OLu3Al tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Al3+ atoms.
DOI: 10.17188/1289958
title: Materials Data on Sm2Se2O by Materials Project

description: Sm2Se2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 1-coordinate geometry to six Se2- and one O2- atom. There are a spread of Sm–Se bond distances ranging from 2.89–3.08 Å. The Sm–O bond length is 2.34 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to three Se2- and three equivalent O2- atoms. There are a spread of Sm–Se bond distances ranging from 2.95–3.12 Å. There are one shorter (2.34 Å) and two longer (2.39 Å) Sm–O bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five Sm3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Sm3+ atoms. O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.
DOI: 10.17188/1289959
title: Materials Data on Ba3SiO by Materials Project

description: Ba3SiO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 2-coordinate geometry to two equivalent Si4- and two equivalent O2- atoms. There are one shorter (3.35 Å) and one longer (3.42 Å) Ba–Si bond lengths. Both Ba–O bond lengths are 2.79 Å. In the second Ba2+ site, Ba2+ is bonded in a 2-coordinate geometry to three equivalent Si4- and two equivalent O2- atoms. There are a spread of Ba–Si bond distances ranging from 3.32–3.77 Å. There are one shorter (2.77 Å) and one longer (2.83 Å) Ba–O bond lengths. Si4- is bonded in a 8-coordinate geometry to eight Ba2+ atoms. O2- is bonded to six Ba2+ atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedra tilt angles range from 26–28°.
DOI: 10.17188/1289960
title: Materials Data on NdSeO by Materials Project

description: NdSeO crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to four equivalent Se1- and four equivalent O2- atoms. All Nd–Se bond lengths are 3.23 Å. There are two shorter (2.38 Å) and two longer (2.42 Å) Nd–O bond lengths. Se1- is bonded in a 5-coordinate geometry to four equivalent Nd3+, five equivalent Se1-, and two equivalent O2- atoms. There are one shorter (2.44 Å) and four longer (3.26 Å) Se–Se bond lengths. Both Se–O bond lengths are 3.49 Å. O2- is bonded to four equivalent Nd3+ and two equivalent Se1- atoms to form a mixture of distorted corner and edge-sharing ONd4Se2 tetrahedra.
DOI: 10.17188/1289962
title: Materials Data on LiTa2CuO6 by Materials Project

description: LiTa2CuO6 is Hydrophilite-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.00 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are three shorter (2.00 Å) and three longer (2.02 Å) Ta–O bond lengths. Cu1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Cu–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1289963
title: Materials Data on Zr2N2O by Materials Project

description: Zr2ON2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to four N3- and two equivalent O2- atoms to form a mixture of corner and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Zr–N bond distances ranging from 2.09–2.17 Å. Both Zr–O bond lengths are 2.39 Å. In the second Zr4+ site, Zr4+ is bonded in a 7-coordinate geometry to four N3- and three equivalent O2- atoms. There are a spread of Zr–N bond distances ranging from 2.18–2.32 Å. There are two shorter (2.22 Å) and one longer (2.50 Å) Zr–O bond lengths. In the third Zr4+ site, Zr4+ is bonded in a 7-coordinate geometry to five N3- and two O2- atoms. There are a spread of Zr–N bond distances ranging from 2.13–2.41 Å. There are one shorter (2.24 Å) and one longer (2.73 Å) Zr–O bond lengths. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to four Zr4+ atoms to form distorted NZr4 tetrahedra that share corners with two equivalent OZr6 octahedra, corners with four NZr4 tetrahedra, an edgeedge with one OZr6 octahedra, and an edgeedge with one NZr4 tetrahedra. The corner-sharing octahedral tilt angles are 12°. In the second N3- site, N3- is bonded to four Zr4+ atoms to form NZr4 tetrahedra that share a cornercorner with one OZr6 octahedra, corners with four NZr4 tetrahedra, edges with two equivalent OZr6 octahedra, and edges with two equivalent NZr4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the third N3- site, N3- is bonded in a 5-coordinate geometry to five Zr4+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Zr4+ atoms. In the second O2- site, O2- is bonded to six Zr4+ atoms to form distorted OZr6 octahedra that share corners with six NZr4 tetrahedra, edges with two equivalent OZr6 octahedra, and edges with six NZr4 tetrahedra.
DOI: 10.17188/1289965
title: Materials Data on Lu2GeO5 by Materials Project

description: Lu2GeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Lu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Lu–O bond distances ranging from 2.13–2.51 Å. Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ge–O bond distances ranging from 1.90–2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Lu3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Ge4+ atoms to form distorted corner-sharing OLu2Ge2 trigonal pyramids.
DOI: 10.17188/1289966
title: Materials Data on Sm2TeO6 by Materials Project

description: Sm2TeO6 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sm3+ is bonded to six O2- atoms to form SmO6 octahedra that share corners with four equivalent SmO6 octahedra, corners with four equivalent TeO6 octahedra, an edgeedge with one SmO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 43–63°. There are two shorter (2.31 Å) and four longer (2.37 Å) Sm–O bond lengths. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with eight equivalent SmO6 octahedra and edges with two equivalent SmO6 octahedra. The corner-sharing octahedra tilt angles range from 43–46°. All Te–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Te6+ atom.
DOI: 10.17188/1289967
title: Materials Data on Lu2Pb2O7 by Materials Project

description: Lu2Pb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.31 Å) and six longer (2.44 Å) Lu–O bond lengths. Pb4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Pb–O bond lengths are 2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Pb4+ atoms to form a mixture of corner and edge-sharing OLu2Pb2 tetrahedra. 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: 10.17188/1289968
title: Materials Data on Er2TeO6 by Materials Project

description: Er2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with four equivalent TeO6 octahedra, corners with six equivalent ErO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Er–O bond distances ranging from 2.22–2.34 Å. In the second Er3+ site, Er3+ is bonded to six O2- atoms to form distorted ErO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with six equivalent ErO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 55–56°. There are a spread of Er–O bond distances ranging from 2.20–2.32 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent ErO6 octahedra and edges with three equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 47–50°. All Te–O bond lengths are 1.96 Å. In the second Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent ErO6 octahedra and edges with three equivalent ErO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Te–O bond lengths are 1.94 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two Er3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Te6+ atom.
DOI: 10.17188/1289969
title: Materials Data on NaPdO2 by Materials Project

description: NaPdO2 is Caswellsilverite structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na is bonded to six equivalent O atoms to form NaO6 octahedra that share corners with six equivalent PdO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent PdO6 octahedra. The corner-sharing octahedra tilt angles range from 8–11°. There are four shorter (2.40 Å) and two longer (2.47 Å) Na–O bond lengths. Pd is bonded to six equivalent O atoms to form PdO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent PdO6 octahedra. The corner-sharing octahedra tilt angles range from 8–11°. There are four shorter (2.06 Å) and two longer (2.45 Å) Pd–O bond lengths. O is bonded to three equivalent Na and three equivalent Pd atoms to form a mixture of corner and edge-sharing ONa3Pd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1289970
title: Materials Data on Ce2Dy2O7 by Materials Project

description: Dy2Ce2O7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.18–2.45 Å. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.46 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with sixteen ODy4 tetrahedra and edges with two equivalent OCe2Dy2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ce4+ atoms to form OCe2Dy2 tetrahedra that share corners with twelve OCe4 tetrahedra and edges with six ODy4 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe2Dy2 tetrahedra. In the fourth O2- site, O2- is bonded to four equivalent Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe2Dy2 tetrahedra and edges with six OCe4 tetrahedra. In the fifth O2- site, O2- is bonded to four equivalent Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe2Dy2 tetrahedra.
DOI: 10.17188/1289971
title: Materials Data on BiSbO3 by Materials Project

description: BiSbO3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.32 Å) and three longer (2.50 Å) Bi–O bond lengths. Sb3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.08 Å) and three longer (2.70 Å) Sb–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent Bi3+ and two equivalent Sb3+ atoms.
DOI: 10.17188/1289972
title: Materials Data on CaEuO2 by Materials Project

description: CaEuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent EuO6 octahedra, edges with six equivalent CaO6 octahedra, and edges with six equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ca–O bond lengths are 2.44 Å. Eu2+ is bonded to six equivalent O2- atoms to form EuO6 octahedra that share corners with six equivalent CaO6 octahedra, edges with six equivalent CaO6 octahedra, and edges with six equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Eu–O bond lengths are 2.53 Å. O2- is bonded to three equivalent Ca2+ and three equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OCa3Eu3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1289973
title: Materials Data on BaNa2O2 by Materials Project

description: Na2BaO2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Na–O bond lengths are 2.34 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra, corners with four equivalent BaO5 trigonal bipyramids, and edges with three equivalent BaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.29–2.45 Å. Ba2+ is bonded to five O2- atoms to form distorted BaO5 trigonal bipyramids that share corners with four equivalent NaO4 tetrahedra, corners with four equivalent BaO5 trigonal bipyramids, edges with three equivalent NaO4 tetrahedra, and edges with two equivalent BaO5 trigonal bipyramids. There are a spread of Ba–O bond distances ranging from 2.72–2.75 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and three equivalent Ba2+ atoms to form a mixture of distorted edge and corner-sharing OBa3Na3 octahedra. The corner-sharing octahedra tilt angles range from 26–63°. In the second O2- site, O2- is bonded to four Na1+ and two equivalent Ba2+ atoms to form a mixture of distorted edge and corner-sharing OBa2Na4 octahedra. The corner-sharing octahedra tilt angles range from 26–54°.
DOI: 10.17188/1289974
title: Materials Data on LiSnPO4 by Materials Project

description: LiSnPO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.85–1.94 Å. Sn2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.12–2.35 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Li1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn2+, and one P5+ atom.
DOI: 10.17188/1289975
title: Materials Data on SrLaI5 by Materials Project

description: SrLaI5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr2+ is bonded to seven I1- atoms to form distorted edge-sharing SrI7 pentagonal bipyramids. There are a spread of Sr–I bond distances ranging from 3.27–3.76 Å. La3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.28–3.53 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent La3+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La3+ atoms. In the third I1- site, I1- is bonded in a 3-coordinate geometry to three equivalent Sr2+ atoms. In the fourth I1- site, I1- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent La3+ atoms. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one La3+ atom.
DOI: 10.17188/1289976
title: Materials Data on LiMgSnAu by Materials Project

description: LiMgAuSn is Tungsten-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Sn atoms. All Li–Mg bond lengths are 2.91 Å. All Li–Sn bond lengths are 2.91 Å. Mg is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Au atoms. All Mg–Au bond lengths are 2.91 Å. Au is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sn atoms. All Au–Sn bond lengths are 2.91 Å. Sn is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Au atoms.
DOI: 10.17188/1289977
title: Materials Data on Na3CuO2 by Materials Project

description: Na3CuO2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.50 Å. In the second Na1+ site, Na1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Na–O bond lengths are 2.24 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. O2- is bonded to five Na1+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing ONa5Cu octahedra. The corner-sharing octahedra tilt angles range from 1–22°.
DOI: 10.17188/1289978
title: Materials Data on Ba2Sc2O5 by Materials Project

description: Ba2Sc2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.63–3.21 Å. Sc3+ is bonded to four O2- atoms to form corner-sharing ScO4 tetrahedra. There are a spread of Sc–O bond distances ranging from 1.92–2.05 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Sc3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ba2+ and one Sc3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Sc3+ atoms. In the fourth O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Ba2+ and two equivalent Sc3+ atoms.
DOI: 10.17188/1289979
title: Materials Data on Gd3SbO7 by Materials Project

description: Gd3SbO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one GdO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent GdO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Gd–O bond distances ranging from 2.25–2.52 Å. In the second Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.35–2.80 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent GdO7 pentagonal bipyramids, and edges with four equivalent GdO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Sb–O bond distances ranging from 1.99–2.03 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Gd3+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the fifth O2- site, O2- is bonded to three Gd3+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OGd3Sb tetrahedra.