cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1315081
title: Materials Data on Li3Pd by Materials Project

description: Li3Pd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to four equivalent Li and four equivalent Pd atoms. All Li–Li bond lengths are 2.74 Å. All Li–Pd bond lengths are 2.74 Å. In the second Li site, Li is bonded to eight equivalent Li and four equivalent Pd atoms to form distorted LiLi8Pd4 cuboctahedra that share corners with four equivalent LiLi8Pd4 cuboctahedra, corners with eight equivalent PdLi12 cuboctahedra, edges with eight equivalent LiLi8Pd4 cuboctahedra, faces with four equivalent LiLi8Pd4 cuboctahedra, and faces with six equivalent PdLi12 cuboctahedra. All Li–Pd bond lengths are 2.80 Å. Pd is bonded to twelve Li atoms to form PdLi12 cuboctahedra that share corners with four equivalent PdLi12 cuboctahedra, corners with eight equivalent LiLi8Pd4 cuboctahedra, edges with eight equivalent PdLi12 cuboctahedra, faces with four equivalent PdLi12 cuboctahedra, and faces with six equivalent LiLi8Pd4 cuboctahedra.
DOI: 10.17188/1315082
title: Materials Data on LiYO3 by Materials Project

description: LiYO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 1.84 Å. Y is bonded to twelve equivalent O atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Y–O bond lengths are 2.61 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Y atoms.
DOI: 10.17188/1315166
title: Materials Data on EuSbO3 by Materials Project

description: EuSbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu3+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, and faces with eight equivalent SbO6 octahedra. All Eu–O bond lengths are 2.98 Å. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.11 Å. O2- is bonded in a distorted linear geometry to four equivalent Eu3+ and two equivalent Sb3+ atoms.
DOI: 10.17188/1315169
title: Materials Data on HoErRh2 by Materials Project

description: ErHoRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Er–Rh bond lengths are 2.95 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ho–Rh bond lengths are 2.95 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Ho atoms.
DOI: 10.17188/1315173
title: Materials Data on NaCd2Au by Materials Project

description: NaAuCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to six equivalent Au and eight equivalent Cd atoms. All Na–Au bond lengths are 3.48 Å. All Na–Cd bond lengths are 3.01 Å. Au is bonded in a distorted body-centered cubic geometry to six equivalent Na and eight equivalent Cd atoms. All Au–Cd bond lengths are 3.01 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Au atoms.
DOI: 10.17188/1315174
title: Materials Data on LiAlH4 by Materials Project

description: LiAlH4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight equivalent H1- atoms. There are four shorter (2.06 Å) and four longer (2.19 Å) Li–H bond lengths. Al3+ is bonded in a tetrahedral geometry to four equivalent H1- atoms. All Al–H bond lengths are 1.65 Å. H1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Al3+ atom.
DOI: 10.17188/1315175
title: Materials Data on NaCu by Materials Project

description: NaCu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Na is bonded to six equivalent Na and six equivalent Cu atoms to form distorted NaNa6Cu6 cuboctahedra that share corners with eighteen equivalent NaNa6Cu6 cuboctahedra, edges with six equivalent NaNa6Cu6 cuboctahedra, edges with twelve equivalent CuNa6Cu6 cuboctahedra, faces with eight equivalent NaNa6Cu6 cuboctahedra, and faces with twelve equivalent CuNa6Cu6 cuboctahedra. All Na–Na bond lengths are 2.84 Å. All Na–Cu bond lengths are 2.97 Å. Cu is bonded to six equivalent Na and six equivalent Cu atoms to form distorted CuNa6Cu6 cuboctahedra that share corners with eighteen equivalent CuNa6Cu6 cuboctahedra, edges with six equivalent CuNa6Cu6 cuboctahedra, edges with twelve equivalent NaNa6Cu6 cuboctahedra, faces with eight equivalent CuNa6Cu6 cuboctahedra, and faces with twelve equivalent NaNa6Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.84 Å.
DOI: 10.17188/1315176
title: Materials Data on K2NbCuS4 by Materials Project

description: K2NbCuS4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded to eight equivalent S2- atoms to form distorted KS8 hexagonal bipyramids that share corners with four equivalent KS8 hexagonal bipyramids, corners with two equivalent NbS4 tetrahedra, corners with four equivalent CuS4 tetrahedra, edges with six equivalent KS8 hexagonal bipyramids, edges with two equivalent CuS4 tetrahedra, edges with three equivalent NbS4 tetrahedra, and faces with two equivalent KS8 hexagonal bipyramids. There are a spread of K–S bond distances ranging from 3.43–3.59 Å. Nb5+ is bonded to four equivalent S2- atoms to form NbS4 tetrahedra that share corners with four equivalent KS8 hexagonal bipyramids, edges with six equivalent KS8 hexagonal bipyramids, and edges with two equivalent CuS4 tetrahedra. All Nb–S bond lengths are 2.30 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with eight equivalent KS8 hexagonal bipyramids, edges with four equivalent KS8 hexagonal bipyramids, and edges with two equivalent NbS4 tetrahedra. All Cu–S bond lengths are 2.35 Å. S2- is bonded in a 6-coordinate geometry to four equivalent K1+, one Nb5+, and one Cu1+ atom.
DOI: 10.17188/1315177
title: Materials Data on K4Ba(SiO3)3 by Materials Project

description: K4BaSi3O9 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.39 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.05 Å. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.91–3.27 Å. In the fourth K1+ site, K1+ is bonded to six O2- atoms to form KO6 octahedra that share corners with six SiO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.65–2.81 Å. Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.04 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent KO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–52°. There are a spread of Si–O bond distances ranging from 1.61–1.69 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent KO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 35–38°. There is two shorter (1.62 Å) and two longer (1.70 Å) Si–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four K1+, one Ba2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to three K1+, one Ba2+, and two Si4+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+, one Ba2+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four K1+ and two equivalent Si4+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+, one Ba2+, and one Si4+ atom.
DOI: 10.17188/1315178
title: Materials Data on HoErRu2 by Materials Project

description: ErHoRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Er–Ru bond lengths are 2.93 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ho–Ru bond lengths are 2.93 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Ho atoms.
DOI: 10.17188/1315179
title: Materials Data on K3V(SO5)2 by Materials Project

description: K3VO2(SO4)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.15 Å. In the second K1+ site, K1+ is bonded to seven O2- atoms to form KO7 pentagonal bipyramids that share corners with four SO4 tetrahedra and an edgeedge with one SO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.73–3.02 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.88–3.01 Å. V5+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.54 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent KO7 pentagonal bipyramids and an edgeedge with one KO7 pentagonal bipyramid. There are a spread of S–O bond distances ranging from 1.46–1.56 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent KO7 pentagonal bipyramids. There are a spread of S–O bond distances ranging from 1.46–1.57 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one V5+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one V5+, and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one V5+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two K1+, one V5+, and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one V5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S6+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one V5+ atom.
DOI: 10.17188/1315180
title: Materials Data on NaHo3 by Materials Project

description: NaHo3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent Ho atoms to form NaHo12 cuboctahedra that share corners with twelve equivalent NaHo12 cuboctahedra, edges with twenty-four equivalent HoNa4Ho8 cuboctahedra, faces with six equivalent NaHo12 cuboctahedra, and faces with twelve equivalent HoNa4Ho8 cuboctahedra. All Na–Ho bond lengths are 3.54 Å. Ho is bonded to four equivalent Na and eight equivalent Ho atoms to form HoNa4Ho8 cuboctahedra that share corners with twelve equivalent HoNa4Ho8 cuboctahedra, edges with eight equivalent NaHo12 cuboctahedra, edges with sixteen equivalent HoNa4Ho8 cuboctahedra, faces with four equivalent NaHo12 cuboctahedra, and faces with fourteen equivalent HoNa4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.54 Å.
DOI: 10.17188/1315181
title: Materials Data on EuReO3 by Materials Project

description: EuReO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu3+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, and faces with eight equivalent ReO6 octahedra. All Eu–O bond lengths are 2.83 Å. Re3+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 2.00 Å. O2- is bonded in a distorted linear geometry to four equivalent Eu3+ and two equivalent Re3+ atoms.
DOI: 10.17188/1315182
title: Materials Data on Li3Pr by Materials Project

description: Li3Pr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pr atoms. All Li–Li bond lengths are 3.19 Å. All Li–Pr bond lengths are 3.19 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pr atoms. All Li–Pr bond lengths are 3.68 Å. Pr is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.
DOI: 10.17188/1315183
title: Materials Data on Li3Pt by Materials Project

description: Li3Pt is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to four equivalent Li and four equivalent Pt atoms. All Li–Li bond lengths are 2.68 Å. All Li–Pt bond lengths are 2.68 Å. In the second Li site, Li is bonded to eight equivalent Li and four equivalent Pt atoms to form distorted LiLi8Pt4 cuboctahedra that share corners with four equivalent LiLi8Pt4 cuboctahedra, corners with eight equivalent PtLi12 cuboctahedra, edges with eight equivalent LiLi8Pt4 cuboctahedra, faces with four equivalent LiLi8Pt4 cuboctahedra, and faces with six equivalent PtLi12 cuboctahedra. All Li–Pt bond lengths are 2.78 Å. Pt is bonded to twelve Li atoms to form PtLi12 cuboctahedra that share corners with four equivalent PtLi12 cuboctahedra, corners with eight equivalent LiLi8Pt4 cuboctahedra, edges with eight equivalent PtLi12 cuboctahedra, faces with four equivalent PtLi12 cuboctahedra, and faces with six equivalent LiLi8Pt4 cuboctahedra.
DOI: 10.17188/1315184
title: Materials Data on NaInAg2 by Materials Project

description: NaAg2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to eight equivalent Ag and six equivalent In atoms. All Na–Ag bond lengths are 3.00 Å. All Na–In bond lengths are 3.46 Å. Ag is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent In atoms. All Ag–In bond lengths are 3.00 Å. In is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Ag atoms.
DOI: 10.17188/1315185
title: Materials Data on LiZr2Ir by Materials Project

description: LiZr2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Zr and six equivalent Ir atoms. All Li–Zr bond lengths are 2.87 Å. All Li–Ir bond lengths are 3.31 Å. Zr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Zr–Ir bond lengths are 2.87 Å. Ir is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Zr atoms.
DOI: 10.17188/1315186
title: Materials Data on LiLuO3 by Materials Project

description: LiLuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent LuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 1.81 Å. Lu is bonded to twelve equivalent O atoms to form LuO12 cuboctahedra that share corners with twelve equivalent LuO12 cuboctahedra, faces with six equivalent LuO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Lu–O bond lengths are 2.57 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Lu atoms.
DOI: 10.17188/1315187
title: Materials Data on Li2AcTl by Materials Project

description: Li2AcTl 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 four equivalent Ac and four equivalent Tl atoms. All Li–Ac bond lengths are 3.19 Å. All Li–Tl bond lengths are 3.19 Å. Ac is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Tl atoms. All Ac–Tl bond lengths are 3.68 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Li and six equivalent Ac atoms.
DOI: 10.17188/1315188
title: Materials Data on Li3Tc by Materials Project

description: Li3Tc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent Tc3- atoms to form LiTc4 tetrahedra that share corners with twelve equivalent LiTc6 octahedra, corners with sixteen equivalent LiTc4 tetrahedra, edges with six equivalent LiTc4 tetrahedra, and faces with four equivalent LiTc6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Li–Tc bond lengths are 2.69 Å. In the second Li1+ site, Li1+ is bonded to six equivalent Tc3- atoms to form LiTc6 octahedra that share corners with six equivalent LiTc6 octahedra, corners with twenty-four equivalent LiTc4 tetrahedra, edges with twelve equivalent LiTc6 octahedra, and faces with eight equivalent LiTc4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Tc bond lengths are 3.10 Å. Tc3- is bonded in a distorted body-centered cubic geometry to fourteen Li1+ atoms.
DOI: 10.17188/1315189
title: Materials Data on LiTm2In by Materials Project

description: LiTm2In 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 Tm atoms. All Li–Tm bond lengths are 3.19 Å. Tm is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent In atoms. All Tm–In bond lengths are 3.19 Å. In is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1315190
title: Materials Data on Nd2ZnAg by Materials Project

description: Nd2AgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Zn atoms. All Nd–Ag bond lengths are 3.23 Å. All Nd–Zn bond lengths are 3.23 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.
DOI: 10.17188/1315191
title: Materials Data on HoErPd2 by Materials Project

description: ErHoPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Er–Pd bond lengths are 3.02 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Ho–Pd bond lengths are 3.02 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Ho atoms.
DOI: 10.17188/1315192
title: Materials Data on Nd2ZnGa by Materials Project

description: Nd2ZnGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Ga atoms. All Nd–Zn bond lengths are 3.20 Å. All Nd–Ga bond lengths are 3.20 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.
DOI: 10.17188/1315193
title: Materials Data on Kr by Materials Project

description: Kr is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of four krypton molecules. Kr is bonded in a 1-coordinate geometry to atoms.
DOI: 10.17188/1315194
title: Materials Data on LuH2ClO2 by Materials Project

description: LuH2O2Cl crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two LuH2O2Cl sheets oriented in the (0, 0, 1) direction. Lu3+ is bonded in a 6-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are three shorter (2.28 Å) and three longer (2.36 Å) Lu–O bond lengths. Both Lu–Cl bond lengths are 2.81 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Lu3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Lu3+ and one H1+ atom. Cl1- is bonded in a 2-coordinate geometry to two equivalent Lu3+ atoms.