cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1715244
title: Materials Data on Cs2NaPrBr6 by Materials Project

description: Cs2NaPrBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent NaBr6 octahedra, and faces with four equivalent PrBr6 octahedra. All Cs–Br bond lengths are 4.14 Å. Na1+ is bonded to six equivalent Br1- atoms to form NaBr6 octahedra that share corners with six equivalent PrBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Br bond lengths are 2.95 Å. Pr3+ is bonded to six equivalent Br1- atoms to form PrBr6 octahedra that share corners with six equivalent NaBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Br bond lengths are 2.91 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one Pr3+ atom.
DOI: 10.17188/1715245
title: Materials Data on Rb3LuCl6 by Materials Project

description: Rb3LuCl6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.51–3.85 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.28–3.64 Å. In the third Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.29–3.67 Å. There are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.57 Å) and four longer (2.60 Å) Lu–Cl bond lengths. In the second Lu3+ site, Lu3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Lu–Cl bond distances ranging from 2.59–2.61 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and one Lu3+ atom. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Lu3+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and one Lu3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Lu3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Rb1+ and one Lu3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Lu3+ atom.
DOI: 10.17188/1715246
title: Materials Data on HoCdNi4 by Materials Project

description: HoNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Ho–Ni bond lengths are 2.91 Å. All Ho–Cd bond lengths are 3.04 Å. Ni is bonded to three equivalent Ho, six equivalent Ni, and three equivalent Cd atoms to form a mixture of edge, face, and corner-sharing NiHo3Cd3Ni6 cuboctahedra. There are three shorter (2.46 Å) and three longer (2.50 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.91 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Ho and twelve equivalent Ni atoms.
DOI: 10.17188/1715248
title: Materials Data on MnAl(WO4)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: 10.17188/1715249
title: Materials Data on V6O5F19 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: 10.17188/1715251
title: Materials Data on La3NdMn4O12 by Materials Project

description: NdLa3Mn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.74 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.75 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.77 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.78 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. There are a spread of Mn–O bond distances ranging from 1.97–2.16 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–28°. There are a spread of Mn–O bond distances ranging from 1.96–2.16 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to one Nd3+, one La3+, and two equivalent Mn3+ atoms to form distorted corner-sharing OLaNdMn2 tetrahedra. In the second O2- site, O2- is bonded to one Nd3+, one La3+, and two equivalent Mn3+ atoms to form distorted corner-sharing OLaNdMn2 tetrahedra. In the third O2- site, O2- is bonded to two La3+ and two equivalent Mn3+ atoms to form distorted corner-sharing OLa2Mn2 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two equivalent Mn3+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one Nd3+, two La3+, and two Mn3+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to one Nd3+, two La3+, and two Mn3+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two Mn3+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to one Nd3+, two La3+, and two Mn3+ atoms.
DOI: 10.17188/1715253
title: Materials Data on KCa2Cd2Sb3 by Materials Project

description: KCa2Cd2Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to two equivalent K1+ and five Sb3- atoms. Both K–K bond lengths are 3.53 Å. There are a spread of K–Sb bond distances ranging from 3.42–3.84 Å. There are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are one shorter (3.26 Å) and four longer (3.40 Å) Ca–Sb bond lengths. In the second Ca2+ site, Ca2+ is bonded to six Sb3- atoms to form CaSb6 octahedra that share corners with two equivalent CaSb6 octahedra, corners with five equivalent CdSb4 tetrahedra, edges with two equivalent CaSb6 octahedra, edges with four equivalent CdSb4 tetrahedra, and a faceface with one CdSb4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Ca–Sb bond distances ranging from 3.22–3.54 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Sb3- atoms to form CdSb4 tetrahedra that share corners with five equivalent CaSb6 octahedra, corners with seven CdSb4 tetrahedra, and a faceface with one CaSb6 octahedra. The corner-sharing octahedra tilt angles range from 29–50°. There are a spread of Cd–Sb bond distances ranging from 2.90–3.00 Å. In the second Cd2+ site, Cd2+ is bonded to four Sb3- atoms to form CdSb4 tetrahedra that share corners with seven CdSb4 tetrahedra and edges with four equivalent CaSb6 octahedra. There are a spread of Cd–Sb bond distances ranging from 2.83–2.99 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to five Ca2+ and three Cd2+ atoms. In the second Sb3- site, Sb3- is bonded in a 7-coordinate geometry to two equivalent K1+, two equivalent Ca2+, and three Cd2+ atoms. In the third Sb3- site, Sb3- is bonded in a 9-coordinate geometry to three equivalent K1+, four Ca2+, and two Cd2+ atoms.
DOI: 10.17188/1715254
title: Materials Data on Li2MnCoO4 by Materials Project

description: Li2MnCoO4 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three equivalent MnO6 octahedra, corners with three equivalent CoO6 octahedra, edges with three equivalent MnO6 octahedra, edges with three equivalent CoO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–8°. There are a spread of Li–O bond distances ranging from 2.10–2.33 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent MnO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–7°. There are a spread of Mn–O bond distances ranging from 1.94–2.28 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent CoO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–8°. There are a spread of Co–O bond distances ranging from 1.93–2.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+, one Mn2+, and two equivalent Co4+ atoms to form a mixture of edge and corner-sharing OLi3MnCo2 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second O2- site, O2- is bonded to three equivalent Li1+, two equivalent Mn2+, and one Co4+ atom to form a mixture of edge and corner-sharing OLi3Mn2Co octahedra. The corner-sharing octahedra tilt angles range from 0–5°.
DOI: 10.17188/1715255
title: Materials Data on CeU4N5 by Materials Project

description: U4CeN5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to six N3- atoms to form UN6 octahedra that share corners with three equivalent UN6 octahedra, corners with three equivalent CeN6 octahedra, edges with three equivalent CeN6 octahedra, and edges with nine UN6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are three shorter (2.38 Å) and three longer (2.43 Å) U–N bond lengths. In the second U3+ site, U3+ is bonded to six N3- atoms to form a mixture of edge and corner-sharing UN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–N bond lengths are 2.44 Å. Ce3+ is bonded to six equivalent N3- atoms to form CeN6 octahedra that share corners with six equivalent UN6 octahedra, edges with six equivalent UN6 octahedra, and edges with six equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Ce–N bond lengths are 2.56 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent U3+ and three equivalent Ce3+ atoms to form a mixture of edge and corner-sharing NCe3U3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second N3- site, N3- is bonded to six equivalent U3+ atoms to form a mixture of edge and corner-sharing NU6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third N3- site, N3- is bonded to six U3+ atoms to form a mixture of edge and corner-sharing NU6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.
DOI: 10.17188/1715256
title: Materials Data on U2Ti3Ge4 by Materials Project

description: U2Ti3Ge4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.85–3.05 Å. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.60–2.73 Å. In the second Ti site, Ti is bonded to six Ge atoms to form corner-sharing TiGe6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two shorter (2.72 Å) and four longer (2.76 Å) Ti–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Ti, and one Ge atom. The Ge–Ge bond length is 2.74 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent U, five Ti, and one Ge atom. The Ge–Ge bond length is 2.74 Å.
DOI: 10.17188/1715257
title: Materials Data on LiAl2Ge by Materials Project

description: LiAl2Ge 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 Al atoms. All Li–Al bond lengths are 2.82 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ge atoms. All Al–Ge bond lengths are 2.82 Å. Ge is bonded in a body-centered cubic geometry to eight equivalent Al atoms.
DOI: 10.17188/1715258
title: Materials Data on LiNb(PO3)4 by Materials Project

description: LiNb(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with six PO4 tetrahedra and edges with two equivalent NbO6 octahedra. There are a spread of Li–O bond distances ranging from 1.97–2.50 Å. Nb3+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six PO4 tetrahedra and edges with two equivalent LiO6 octahedra. There are a spread of Nb–O bond distances ranging from 2.12–2.23 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 a cornercorner with one LiO6 octahedra, corners with two equivalent NbO6 octahedra, and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–58°. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one NbO6 octahedra, corners with two equivalent LiO6 octahedra, and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–58°. There are a spread of P–O bond distances ranging from 1.47–1.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb3+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Nb3+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Nb3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1715260
title: Materials Data on NaEuCu2F8 by Materials Project

description: NaEuCu2F8 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.44 Å. Eu3+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. All Eu–F bond lengths are 2.39 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.89 Å. F1- is bonded in a distorted trigonal planar geometry to one Na1+, one Eu3+, and one Cu2+ atom.
DOI: 10.17188/1715261
title: Materials Data on RbNdSe2O11 by Materials Project

description: RbNdSe2O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb is bonded in a 1-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.52 Å. Nd is bonded to six O atoms to form distorted NdO6 pentagonal pyramids that share corners with five SeO4 tetrahedra. There are a spread of Nd–O bond distances ranging from 2.29–2.55 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent NdO6 pentagonal pyramids. There is two shorter (1.65 Å) and two longer (1.70 Å) Se–O bond length. In the second Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with three equivalent NdO6 pentagonal pyramids. There is one shorter (1.67 Å) and three longer (1.68 Å) Se–O bond length. There are eleven inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Rb, one Nd, and one Se atom. In the second O site, O is bonded in a distorted linear geometry to one Rb, one Nd, and one Se atom. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent Rb and one Se atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Se atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Nd and one Se atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one Se atom. In the seventh O site, O is bonded in a single-bond geometry to one Se atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Rb, one Nd, and one Se atom. In the ninth O site, O is bonded in a single-bond geometry to one Nd atom. In the tenth O site, O is bonded in a 2-coordinate geometry to two equivalent Rb and one O atom. The O–O bond length is 1.24 Å. In the eleventh O site, O is bonded in a 1-coordinate geometry to one Rb and one O atom.
DOI: 10.17188/1715263
title: Materials Data on LiV2O2F3 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: 10.17188/1715264
title: Materials Data on Fe(CoS)8 by Materials Project

description: Fe(CoS)8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with twenty-four equivalent CoS4 tetrahedra. All Fe–S bond lengths are 2.30 Å. Co+1.75+ is bonded to four S2- atoms to form CoS4 tetrahedra that share corners with three equivalent FeS6 octahedra, corners with six equivalent CoS4 tetrahedra, and edges with three equivalent CoS4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are one shorter (2.10 Å) and three longer (2.21 Å) Co–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Fe2+ and four equivalent Co+1.75+ atoms. In the second S2- site, S2- is bonded in a tetrahedral geometry to four equivalent Co+1.75+ atoms.
DOI: 10.6084/m9.figshare.13683139
title: Gravity_reference_stations_2020

description: Listing of all gravity reference stations in New Zealand 2020 are available from https://doi.org/10.21420/96Q5-8581
DOI: 10.6084/m9.figshare.13683139.v3
title: Gravity_reference_stations_2020

description: Listing of all gravity reference stations in New Zealand 2020 are available from https://doi.org/10.21420/96Q5-8581
DOI: 10.17188/1715265
title: Materials Data on MgCd2 by Materials Project

description: MgCd2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten Cd atoms to form distorted MgMg2Cd10 cuboctahedra that share corners with six equivalent MgMg2Cd10 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with eight equivalent MgMg2Cd10 cuboctahedra, edges with ten CdMg6Cd6 cuboctahedra, faces with six equivalent MgMg2Cd10 cuboctahedra, and faces with fourteen CdMg6Cd6 cuboctahedra. Both Mg–Mg bond lengths are 3.22 Å. There are a spread of Mg–Cd bond distances ranging from 3.11–3.14 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalent Mg and six Cd atoms to form distorted CdMg6Cd6 cuboctahedra that share corners with six equivalent MgMg2Cd10 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with seven equivalent MgMg2Cd10 cuboctahedra, edges with eleven equivalent CdMg4Cd8 cuboctahedra, faces with six equivalent MgMg2Cd10 cuboctahedra, and faces with fourteen CdMg6Cd6 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.10–3.22 Å. In the second Cd site, Cd is bonded to four equivalent Mg and eight Cd atoms to form distorted CdMg4Cd8 cuboctahedra that share corners with six equivalent MgMg2Cd10 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with three equivalent MgMg2Cd10 cuboctahedra, edges with fifteen CdMg6Cd6 cuboctahedra, faces with eight equivalent MgMg2Cd10 cuboctahedra, and faces with twelve CdMg6Cd6 cuboctahedra. There are four shorter (3.14 Å) and two longer (3.22 Å) Cd–Cd bond lengths.
DOI: 10.6084/m9.figshare.13683139.v2
title: Gravity_reference_stations_2020

description: Listing of all gravity reference stations in New Zealand 2020
DOI: 10.17188/1715266
title: Materials Data on ErGaO3 by Materials Project

description: ErGaO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.25–2.49 Å. In the second Er3+ site, Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share corners with three equivalent GaO5 trigonal bipyramids and edges with three equivalent GaO5 trigonal bipyramids. There are a spread of Er–O bond distances ranging from 2.27–2.37 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share a cornercorner with one ErO7 pentagonal bipyramid, corners with six equivalent GaO5 trigonal bipyramids, and an edgeedge with one ErO7 pentagonal bipyramid. There are a spread of Ga–O bond distances ranging from 1.90–2.05 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Er3+ and one Ga3+ atom to form OEr3Ga tetrahedra that share corners with ten OEr3Ga tetrahedra, corners with two equivalent OErGa3 trigonal pyramids, edges with three equivalent OEr3Ga tetrahedra, and edges with two equivalent OErGa3 trigonal pyramids. In the second O2- site, O2- is bonded to three Er3+ and one Ga3+ atom to form distorted OEr3Ga tetrahedra that share corners with ten OEr3Ga tetrahedra, corners with four equivalent OErGa3 trigonal pyramids, edges with three equivalent OEr3Ga tetrahedra, and an edgeedge with one OErGa3 trigonal pyramid. In the third O2- site, O2- is bonded to one Er3+ and three equivalent Ga3+ atoms to form OErGa3 trigonal pyramids that share corners with six equivalent OEr3Ga tetrahedra, corners with six equivalent OErGa3 trigonal pyramids, and edges with three equivalent OEr3Ga tetrahedra. In the fourth O2- site, O2- is bonded to one Er3+ and three equivalent Ga3+ atoms to form distorted OErGa3 trigonal pyramids that share corners with six equivalent OEr3Ga tetrahedra, corners with six OErGa3 trigonal pyramids, and edges with three equivalent OEr3Ga tetrahedra.