cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1684226
title: Materials Data on KMnH3(CO2)3 by Materials Project

description: KMnH3(CO2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.88–2.99 Å. Mn2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.19–2.24 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. In the second C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Mn2+, and one C2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mn2+, and one C2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Mn2+, and one C2+ atom.
DOI: 10.17188/1684227
title: Materials Data on U2FeSe5 by Materials Project

description: U2FeSe5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U+3.50+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.79–3.20 Å. Fe3+ is bonded to six Se2- atoms to form corner-sharing FeSe6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are four shorter (2.61 Å) and two longer (2.62 Å) Fe–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four equivalent U+3.50+ atoms to form distorted edge-sharing SeU4 trigonal pyramids. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent U+3.50+ and one Fe3+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent U+3.50+ and two equivalent Fe3+ atoms.
DOI: 10.17632/5bjjvzbfn6.1
title: LINF_080008200

description: mitochondrial associated ribonuclease; Leishmania infantum
DOI: 10.17188/1684229
title: Materials Data on LiSm2Al by Materials Project

description: LiSm2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. All Li–Sm bond lengths are 3.22 Å. Sm is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Sm–Al bond lengths are 3.22 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17632/r286xxc7hz.1
title: Customer review informativeness dataset

description: This dataset contains 3000 sentences from Amazon product reviews related to Digital cameras and Accessories, written in the period May 1996 - July 2014. The original dataset used to extract these reviews is the "Amazon review data": http://jmcauley.ucsd.edu/data/amazon/ All sentences are labeled by human annotators, based on their level of informativeness. The inter-annotator agreement is calculated by Krippendorff's alpha, where α=0.75.
DOI: 10.17188/1684230
title: Materials Data on Sr2Co(BrO)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1684231
title: Materials Data on Li4Co5O9F by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1684232
title: Materials Data on Ho2Ti12(CuO4)9 by Materials Project

description: Ho2Ti12(CuO4)9 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Ho3+ is bonded to twelve O2- atoms to form HoO12 cuboctahedra that share faces with eight TiO6 octahedra. There are a spread of Ho–O bond distances ranging from 2.54–2.58 Å. There are four inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six TiO6 octahedra and a faceface with one HoO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 38–43°. There are a spread of Ti–O bond distances ranging from 1.90–2.08 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six TiO6 octahedra and faces with two equivalent HoO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 38–40°. There is four shorter (1.97 Å) and two longer (1.98 Å) Ti–O bond length. In the third Ti4+ site, Ti4+ is bonded to six equivalent O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Ti–O bond lengths are 1.98 Å. In the fourth Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six TiO6 octahedra and faces with two equivalent HoO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 39–40°. There is three shorter (1.94 Å) and three longer (2.00 Å) Ti–O bond length. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.98 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is three shorter (1.96 Å) and one longer (1.97 Å) Cu–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ho3+, two Ti4+, and one Cu2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ho3+, two Ti4+, and one Cu2+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ho3+, two Ti4+, and one Cu2+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ti4+ and one Cu2+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Ho3+, two Ti4+, and one Cu2+ atom.
DOI: 10.17632/dry3g9ffbt.1
title: SVC2004_Task1

description: SVC 2004: First International Signature Verification Competition
DOI: 10.17188/1684233
title: Materials Data on Fe3Co3(TeO8)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1684234
title: Materials Data on SmGaCo by Materials Project

description: SmCoGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 7-coordinate geometry to six equivalent Co and five equivalent Ga atoms. There are a spread of Sm–Co bond distances ranging from 2.92–3.35 Å. There are a spread of Sm–Ga bond distances ranging from 2.88–2.99 Å. Co is bonded in a 10-coordinate geometry to six equivalent Sm, two equivalent Co, and two equivalent Ga atoms. Both Co–Co bond lengths are 2.88 Å. There are one shorter (2.43 Å) and one longer (2.44 Å) Co–Ga bond lengths. Ga is bonded to five equivalent Sm and two equivalent Co atoms to form a mixture of distorted edge and corner-sharing GaSm5Co2 pentagonal bipyramids.
DOI: 10.17188/1684235
title: Materials Data on Yb(AlCu)6 by Materials Project

description: Yb(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.19 Å) and eight longer (3.31 Å) Yb–Cu bond lengths. There are a spread of Yb–Al bond distances ranging from 2.97–3.10 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Yb, four Cu, and six Al atoms to form a mixture of distorted corner, edge, and face-sharing CuYb2Al6Cu4 cuboctahedra. All Cu–Cu bond lengths are 2.53 Å. There are a spread of Cu–Al bond distances ranging from 2.52–2.65 Å. In the second Cu site, Cu is bonded to two equivalent Yb, four equivalent Cu, and six Al atoms to form a mixture of distorted corner, edge, and face-sharing CuYb2Al6Cu4 cuboctahedra. There are a spread of Cu–Al bond distances ranging from 2.65–2.73 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Yb, six Cu, and three Al atoms. There are one shorter (2.61 Å) and two longer (2.83 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Yb, six Cu, and three Al atoms. There are one shorter (2.64 Å) and two longer (2.88 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Yb, six Cu, and four Al atoms.
DOI: 10.17188/1684236
title: Materials Data on ScFe2 by Materials Project

description: ScFe2 is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 12-coordinate geometry to four Sc and twelve Fe atoms. All Sc–Sc bond lengths are 3.02 Å. There are three shorter (2.88 Å) and nine longer (2.89 Å) Sc–Fe bond lengths. In the second Sc site, Sc is bonded in a 12-coordinate geometry to four Sc and twelve Fe atoms. The Sc–Sc bond length is 3.02 Å. All Sc–Fe bond lengths are 2.89 Å. In the third Sc site, Sc is bonded in a 12-coordinate geometry to four Sc and twelve Fe atoms. All Sc–Sc bond lengths are 3.02 Å. All Sc–Fe bond lengths are 2.89 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six Sc and six Fe atoms to form a mixture of edge, corner, and face-sharing FeSc6Fe6 cuboctahedra. There are three shorter (2.46 Å) and three longer (2.48 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to six Sc and six Fe atoms to form a mixture of edge, corner, and face-sharing FeSc6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.47 Å. In the third Fe site, Fe is bonded to six Sc and six Fe atoms to form a mixture of edge, corner, and face-sharing FeSc6Fe6 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.48 Å) Fe–Fe bond lengths.
DOI: 10.17188/1684237
title: Materials Data on LiMn2F7 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1684239
title: Materials Data on Li5Mn6(BO3)6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1684240
title: Materials Data on DyZr4O9 by Materials Project

description: DyZr4O9 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Dy3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.28–2.58 Å. There are two inequivalent Zr+3.75+ sites. In the first Zr+3.75+ site, Zr+3.75+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.14–2.33 Å. In the second Zr+3.75+ site, Zr+3.75+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing ZrO7 hexagonal pyramids. There are a spread of Zr–O bond distances ranging from 2.09–2.23 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to one Dy3+ and three Zr+3.75+ atoms to form ODyZr3 tetrahedra that share corners with twelve ODyZr3 tetrahedra and edges with four OZr4 tetrahedra. In the second O2- site, O2- is bonded to four Zr+3.75+ atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the third O2- site, O2- is bonded to four Zr+3.75+ atoms to form OZr4 tetrahedra that share corners with fourteen ODyZr3 tetrahedra and edges with six OZr4 tetrahedra. In the fourth O2- site, O2- is bonded to one Dy3+ and three Zr+3.75+ atoms to form a mixture of corner and edge-sharing ODyZr3 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Zr+3.75+ atoms.
DOI: 10.17188/1684241
title: Materials Data on Rb2TaCuS2 by Materials Project

description: Rb2TaCuS2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2TaCuS2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 3-coordinate geometry to one Cu and three equivalent S atoms. The Rb–Cu bond length is 3.44 Å. There are a spread of Rb–S bond distances ranging from 3.01–3.12 Å. Ta is bonded in a distorted linear geometry to four equivalent Cu and two equivalent S atoms. There are two shorter (2.82 Å) and two longer (3.36 Å) Ta–Cu bond lengths. Both Ta–S bond lengths are 2.31 Å. Cu is bonded in a 6-coordinate geometry to two equivalent Rb and four equivalent Ta atoms. S is bonded in a 4-coordinate geometry to three equivalent Rb and one Ta atom.
DOI: 10.17188/1684242
title: Materials Data on NaLi3 by Materials Project

description: NaLi3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Li atoms to form NaLi12 cuboctahedra that share corners with four equivalent NaLi12 cuboctahedra, edges with eight equivalent NaLi12 cuboctahedra, edges with sixteen equivalent LiNa4Li8 cuboctahedra, faces with four equivalent NaLi12 cuboctahedra, and faces with eight equivalent LiNa4Li8 cuboctahedra. There are four shorter (3.22 Å) and eight longer (3.28 Å) Na–Li bond lengths. There are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Na and eight Li atoms to form distorted LiNa4Li8 cuboctahedra that share corners with twelve equivalent LiNa4Li8 cuboctahedra, edges with eight equivalent NaLi12 cuboctahedra, edges with eight equivalent LiNa4Li8 cuboctahedra, faces with four equivalent NaLi12 cuboctahedra, and faces with ten equivalent LiNa4Li8 cuboctahedra. There are four shorter (3.22 Å) and four longer (3.28 Å) Li–Li bond lengths. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Na and eight equivalent Li atoms.
DOI: 10.17188/1684244
title: Materials Data on RbMnAs by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1684245
title: Materials Data on Li2Mn3FeO8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1684246
title: Materials Data on Dy2SnS5 by Materials Project

description: Dy2SnS5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Dy–S bond distances ranging from 2.75–2.97 Å. Sn4+ is bonded to six S2- atoms to form edge-sharing SnS6 octahedra. There are four shorter (2.58 Å) and two longer (2.61 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a square co-planar geometry to four equivalent Dy3+ atoms. In the second S2- site, S2- is bonded to four equivalent Dy3+ and one Sn4+ atom to form distorted SDy4Sn trigonal bipyramids that share corners with five equivalent SDy4Sn trigonal bipyramids, corners with four equivalent SDy2Sn2 trigonal pyramids, edges with four equivalent SDy4Sn trigonal bipyramids, and edges with four equivalent SDy2Sn2 trigonal pyramids. In the third S2- site, S2- is bonded to two equivalent Dy3+ and two equivalent Sn4+ atoms to form distorted SDy2Sn2 trigonal pyramids that share corners with four equivalent SDy4Sn trigonal bipyramids, corners with six equivalent SDy2Sn2 trigonal pyramids, edges with four equivalent SDy4Sn trigonal bipyramids, and an edgeedge with one SDy2Sn2 trigonal pyramid.
DOI: 10.17632/96kjhgh786.1
title: LINF_290032300

description: 60S ribosomal protein L13; Leishmania infantum
DOI: 10.17188/1684247
title: Materials Data on GdVO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1684248
title: Materials Data on K2Cu(BrF)2 by Materials Project

description: K2Cu(BrF)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to two equivalent Br1- and four equivalent F1- atoms to form a mixture of distorted edge and corner-sharing KBr2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both K–Br bond lengths are 3.32 Å. All K–F bond lengths are 2.51 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Cu–Br bond lengths are 2.51 Å. Br1- is bonded in a square co-planar geometry to two equivalent K1+ and two equivalent Cu2+ atoms. F1- is bonded in a square co-planar geometry to four equivalent K1+ atoms.
DOI: 10.17188/1684249
title: Materials Data on K2LiAsF6 by Materials Project

description: K2LiAsF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent LiF6 octahedra, and faces with four equivalent AsF6 octahedra. All K–F bond lengths are 2.95 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent AsF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.10 Å. As3+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–F bond lengths are 2.07 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one As3+ atom.
DOI: 10.17188/1684250
title: Materials Data on Lu4Zr3O12 by Materials Project

description: Lu4Zr3O12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.17–2.51 Å. In the second Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.18–2.59 Å. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Zr–O bond distances ranging from 2.10–2.15 Å. In the second Zr4+ site, Zr4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zr–O bond distances ranging from 2.08–2.23 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Lu3+ and two Zr4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Lu3+ and one Zr4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and two Zr4+ atoms. In the fourth O2- site, O2- is bonded to three Lu3+ and one Zr4+ atom to form OLu3Zr tetrahedra that share corners with six OLu2Zr2 tetrahedra and edges with three OLu3Zr tetrahedra. In the fifth O2- site, O2- is bonded to two Lu3+ and two equivalent Zr4+ atoms to form a mixture of distorted corner and edge-sharing OLu2Zr2 tetrahedra. In the sixth O2- site, O2- is bonded to three Lu3+ and one Zr4+ atom to form a mixture of distorted corner and edge-sharing OLu3Zr tetrahedra.
DOI: 10.17188/1684251
title: Materials Data on Gd2MnCoO6 by Materials Project

description: Gd2CoMnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.65 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Mn–O bond distances ranging from 1.91–1.97 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Co–O bond distances ranging from 1.99–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Gd3+, one Mn2+, and one Co4+ atom to form distorted corner-sharing OGd2MnCo trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Gd3+, one Mn2+, and one Co4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Gd3+, one Mn2+, and one Co4+ atom.
DOI: 10.17188/1684252
title: Materials Data on GdH(SeO4)2 by Materials Project

description: GdH(SeO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.79 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 Se6+ sites. In the first Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.69 Å. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.78 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and one Se6+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Gd3+, one H1+, and one Se6+ atom.