cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1290107
title: Materials Data on LiTiO4F3 by Materials Project

description: LiTiO4F3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li is bonded to two equivalent O and three F atoms to form distorted LiO2F3 trigonal bipyramids that share corners with five equivalent TiO4F3 pentagonal bipyramids. Both Li–O bond lengths are 2.40 Å. There is two shorter (1.89 Å) and one longer (1.90 Å) Li–F bond length. Ti is bonded to four O and three F atoms to form distorted TiO4F3 pentagonal bipyramids that share corners with five equivalent LiO2F3 trigonal bipyramids. There are two shorter (2.03 Å) and two longer (2.05 Å) Ti–O bond lengths. There is one shorter (1.87 Å) and two longer (1.88 Å) Ti–F bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Li, one Ti, and one O atom. The O–O bond length is 1.34 Å. In the second O site, O is bonded in a 1-coordinate geometry to one Ti and one O atom. There are three inequivalent F sites. In the first F site, F is bonded in a linear geometry to one Li and one Ti atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Li and one Ti atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Li and one Ti atom.
DOI: 10.17188/1290109
title: Materials Data on NaHoO2 by Materials Project

description: NaHoO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four HoO6 octahedra, edges with five NaO6 octahedra, and edges with seven HoO6 octahedra. The corner-sharing octahedra tilt angles range from 7–14°. There are a spread of Na–O bond distances ranging from 2.42–2.76 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four HoO6 octahedra, edges with five NaO6 octahedra, and edges with seven HoO6 octahedra. The corner-sharing octahedra tilt angles range from 1–14°. There are a spread of Na–O bond distances ranging from 2.40–2.74 Å. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with two equivalent HoO6 octahedra, corners with four NaO6 octahedra, edges with five HoO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 7–14°. There are a spread of Ho–O bond distances ranging from 2.28–2.32 Å. In the second Ho3+ site, Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with two equivalent HoO6 octahedra, corners with four NaO6 octahedra, edges with five HoO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 1–14°. There are a spread of Ho–O bond distances ranging from 2.29–2.31 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and three Ho3+ atoms to form a mixture of edge and corner-sharing ONa3Ho3 octahedra. The corner-sharing octahedra tilt angles range from 3–13°. In the second O2- site, O2- is bonded to three Na1+ and three Ho3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Ho3 octahedra. The corner-sharing octahedra tilt angles range from 2–13°.
DOI: 10.17188/1290110
title: Materials Data on Sn2P2O7 by Materials Project

description: Sn2P2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sn2+ is bonded to five O2- atoms to form distorted SnO5 square pyramids that share corners with five equivalent PO4 tetrahedra and edges with two equivalent SnO5 square pyramids. There are a spread of Sn–O bond distances ranging from 2.29–2.57 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five equivalent SnO5 square pyramids and a cornercorner with one PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms.
DOI: 10.17188/1290112
title: Materials Data on Ca2PrO4 by Materials Project

description: Ca2PrO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.28–2.50 Å. Pr4+ is bonded to six O2- atoms to form edge-sharing PrO6 octahedra. There are two shorter (2.35 Å) and four longer (2.38 Å) Pr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ca2+ and one Pr4+ atom to form OCa4Pr square pyramids that share corners with five equivalent OCa4Pr square pyramids, corners with eight equivalent OCa2Pr2 trigonal pyramids, edges with four equivalent OCa4Pr square pyramids, and edges with two equivalent OCa2Pr2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Pr4+ atoms to form distorted OCa2Pr2 trigonal pyramids that share corners with eight equivalent OCa4Pr square pyramids, corners with four equivalent OCa2Pr2 trigonal pyramids, edges with two equivalent OCa4Pr square pyramids, and edges with two equivalent OCa2Pr2 trigonal pyramids.
DOI: 10.17188/1290113
title: Materials Data on K5Se3 by Materials Project

description: K5Se3 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se+1.67- atoms. There are a spread of K–Se bond distances ranging from 3.42–3.64 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se+1.67- atoms. There are a spread of K–Se bond distances ranging from 3.37–3.60 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent Se+1.67- atoms. All K–Se bond lengths are 3.23 Å. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a 10-coordinate geometry to ten K1+ atoms. In the second Se+1.67- site, Se+1.67- is bonded in a 9-coordinate geometry to eight K1+ and one Se+1.67- atom. The Se–Se bond length is 2.44 Å.
DOI: 10.17188/1290114
title: Materials Data on Y2HgO4 by Materials Project

description: Y2HgO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share corners with six equivalent HgO4 tetrahedra and edges with six equivalent YO6 octahedra. All Y–O bond lengths are 2.29 Å. Hg2+ is bonded to four equivalent O2- atoms to form HgO4 tetrahedra that share corners with twelve equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Hg–O bond lengths are 2.35 Å. O2- is bonded to three equivalent Y3+ and one Hg2+ atom to form a mixture of distorted corner and edge-sharing OY3Hg tetrahedra.
DOI: 10.17188/1290115
title: Materials Data on Ho2Pt2O7 by Materials Project

description: Ho2Pt2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.22 Å) and six longer (2.43 Å) Ho–O bond lengths. Pt4+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Pt–O bond lengths are 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Pt4+ atoms to form a mixture of distorted edge and corner-sharing OHo2Pt2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra.
DOI: 10.17188/1290116
title: Materials Data on LiCuCO3F by Materials Project

description: LiCuCO3F crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Li1+ is bonded in a distorted single-bond geometry to six O2- and one F1- atom. There are a spread of Li–O bond distances ranging from 2.50–2.61 Å. The Li–F bond length is 1.86 Å. Cu2+ is bonded to three O2- and two equivalent F1- atoms to form distorted corner-sharing CuO3F2 trigonal bipyramids. There are a spread of Cu–O bond distances ranging from 1.97–2.13 Å. Both Cu–F bond lengths are 1.99 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Li1+, one Cu2+, and one C4+ atom. In the second O2- site, O2- is bonded to two equivalent Li1+, one Cu2+, and one C4+ atom to form distorted corner-sharing OLi2CuC tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Li1+, one Cu2+, and one C4+ atom. F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Cu2+ atoms.
DOI: 10.17188/1290117
title: Materials Data on Li3VS4 by Materials Project

description: Li3VS4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent VS4 tetrahedra and corners with eight equivalent LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.45–2.52 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent VS4 tetrahedra and corners with eight LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.44–2.50 Å. V5+ is bonded to four S2- atoms to form VS4 tetrahedra that share corners with twelve LiS4 tetrahedra. There are two shorter (2.16 Å) and two longer (2.17 Å) V–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three Li1+ and one V5+ atom to form corner-sharing SLi3V tetrahedra. In the second S2- site, S2- is bonded to three Li1+ and one V5+ atom to form corner-sharing SLi3V tetrahedra. In the third S2- site, S2- is bonded to three Li1+ and one V5+ atom to form corner-sharing SLi3V tetrahedra.
DOI: 10.17188/1290118
title: Materials Data on Rb3InO3 by Materials Project

description: Rb3InO3 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 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.69–3.15 Å. In the second 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 2.84–3.36 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.94 Å) and two longer (3.08 Å) Rb–O bond lengths. In3+ is bonded to four O2- atoms to form edge-sharing InO4 tetrahedra. There are two shorter (2.08 Å) and two longer (2.15 Å) In–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Rb1+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one In3+ atom.
DOI: 10.17188/1290119
title: Materials Data on LiCuO by Materials Project

description: LiCuO crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two LiCuO sheets oriented in the (0, 1, 0) direction. Li1+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.87 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.85 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Cu1+ atoms.
DOI: 10.17188/1290120
title: Materials Data on CaPt3O4 by Materials Project

description: CaPt3O4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ca–O bond lengths are 2.54 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.08 Å. O2- is bonded to two equivalent Ca2+ and three equivalent Pt2+ atoms to form a mixture of edge and corner-sharing OCa2Pt3 trigonal bipyramids.
DOI: 10.17188/1290121
title: Materials Data on K2Eu2O3 by Materials Project

description: K2Eu2O3 is Aluminum carbonitride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.85–3.28 Å. Eu2+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing EuO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.31–2.39 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent Eu2+ atoms to form corner-sharing OK4Eu2 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Eu2+ atoms.
DOI: 10.17188/1290122
title: Materials Data on Gd3YO6 by Materials Project

description: Gd3YO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.28–2.87 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share a cornercorner with one YO5 trigonal bipyramid, edges with two equivalent GdO7 pentagonal bipyramids, and an edgeedge with one YO5 trigonal bipyramid. There are a spread of Gd–O bond distances ranging from 2.32–2.54 Å. Y3+ is bonded to five O2- atoms to form distorted YO5 trigonal bipyramids that share a cornercorner with one GdO7 pentagonal bipyramid, corners with two equivalent YO5 trigonal bipyramids, and an edgeedge with one GdO7 pentagonal bipyramid. There are a spread of Y–O bond distances ranging from 2.16–2.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the second O2- site, O2- is bonded to three Gd3+ and one Y3+ atom to form a mixture of distorted edge and corner-sharing OGd3Y tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Gd3+ and two equivalent Y3+ atoms. In the fourth O2- site, O2- is bonded to three Gd3+ and one Y3+ atom to form distorted OGd3Y tetrahedra that share corners with twelve OGd4 tetrahedra and edges with two equivalent OGd3Y tetrahedra.
DOI: 10.17188/1290144
title: Materials Data on CsGdO2 by Materials Project

description: CsGdO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.11 Å. Gd3+ is bonded to six equivalent O2- atoms to form edge-sharing GdO6 octahedra. All Gd–O bond lengths are 2.38 Å. O2- is bonded in a 6-coordinate geometry to three equivalent Cs1+ and three equivalent Gd3+ atoms.
DOI: 10.17188/1290145
title: Materials Data on Dy3TaO7 by Materials Project

description: Dy3TaO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. 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 two equivalent TaO6 octahedra, a cornercorner with one DyO7 pentagonal bipyramid, edges with two equivalent TaO6 octahedra, and edges with three equivalent DyO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–48°. There are a spread of Dy–O bond distances ranging from 2.22–2.47 Å. In the second Dy3+ site, Dy3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.33–2.88 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent DyO7 pentagonal bipyramids, and edges with four equivalent DyO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There are a spread of Ta–O bond distances ranging from 1.96–2.03 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Dy3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra. In the fifth O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form a mixture of distorted corner and edge-sharing ODy3Ta tetrahedra.
DOI: 10.17188/1290146
title: Materials Data on NaSb3O8 by Materials Project

description: NaSb3O8 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.53 Å) and four longer (2.59 Å) Na–O bond lengths. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to seven O2- atoms to form distorted SbO7 trigonal bipyramids that share corners with two equivalent SbO8 hexagonal bipyramids, corners with two equivalent SbO7 trigonal bipyramids, edges with two equivalent SbO8 hexagonal bipyramids, and edges with two equivalent SbO7 trigonal bipyramids. There are a spread of Sb–O bond distances ranging from 1.98–2.50 Å. In the second Sb5+ site, Sb5+ is bonded to eight O2- atoms to form distorted SbO8 hexagonal bipyramids that share corners with four equivalent SbO7 trigonal bipyramids, edges with two equivalent SbO8 hexagonal bipyramids, and edges with four equivalent SbO7 trigonal bipyramids. There are four shorter (2.06 Å) and four longer (2.20 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+ and three Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb5+ atoms. In the third O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sb5+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sb2 tetrahedra.
DOI: 10.17188/1290147
title: Materials Data on CePrO2 by Materials Project

description: PrCeO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pr is bonded to six O atoms to form PrO6 octahedra that share corners with two equivalent CeO6 octahedra, corners with four equivalent PrO6 octahedra, edges with four equivalent PrO6 octahedra, and edges with eight equivalent CeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.52 Å) and two longer (2.54 Å) Pr–O bond lengths. Ce is bonded to six O atoms to form CeO6 octahedra that share corners with two equivalent PrO6 octahedra, corners with four equivalent CeO6 octahedra, edges with four equivalent CeO6 octahedra, and edges with eight equivalent PrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.50 Å) and four longer (2.52 Å) Ce–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded to three equivalent Pr and three equivalent Ce atoms to form a mixture of corner and edge-sharing OCe3Pr3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O site, O is bonded to three equivalent Pr and three equivalent Ce atoms to form a mixture of corner and edge-sharing OCe3Pr3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the third O site, O is bonded to three equivalent Pr and three equivalent Ce atoms to form a mixture of corner and edge-sharing OCe3Pr3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are one shorter (2.50 Å) and two longer (2.52 Å) O–Ce bond lengths.
DOI: 10.17188/1290148
title: Materials Data on DyHO2 by Materials Project

description: DyOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing DyO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Dy–O bond distances ranging from 2.21–2.41 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Dy3+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Dy3+ atoms.
DOI: 10.17188/1290149
title: Materials Data on Lu3TaO7 by Materials Project

description: Lu3TaO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to seven O2- atoms to form distorted LuO7 pentagonal bipyramids that share corners with two equivalent TaO6 octahedra, a cornercorner with one LuO7 pentagonal bipyramid, edges with two equivalent TaO6 octahedra, and edges with three equivalent LuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–49°. There are a spread of Lu–O bond distances ranging from 2.15–2.39 Å. In the second Lu3+ site, Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.28–2.83 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent LuO7 pentagonal bipyramids, and edges with four equivalent LuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of Ta–O bond distances ranging from 1.94–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded to four Lu3+ atoms to form a mixture of edge and corner-sharing OLu4 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Lu3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded to four Lu3+ atoms to form a mixture of edge and corner-sharing OLu4 tetrahedra. In the fifth O2- site, O2- is bonded to three Lu3+ and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OLu3Ta tetrahedra.