cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1289248
title: Materials Data on SmAgO2 by Materials Project

description: SmAgO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent O2- atoms to form distorted edge-sharing SmO6 octahedra. All Sm–O bond lengths are 2.36 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.08 Å. O2- is bonded to three equivalent Sm3+ and one Ag1+ atom to form a mixture of edge and corner-sharing OSm3Ag tetrahedra.
DOI: 10.17188/1289249
title: Materials Data on CeBrO by Materials Project

description: CeOBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CeOBr sheet oriented in the (0, 0, 1) direction. Ce3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Ce–O bond lengths are 2.35 Å. All Ce–Br bond lengths are 3.26 Å. O2- is bonded to four equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Ce3+ atoms.
DOI: 10.17188/1289250
title: Materials Data on TmClO by Materials Project

description: TmOCl crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one TmOCl sheet oriented in the (0, 0, 1) direction. Tm3+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form a mixture of distorted corner and edge-sharing TmCl2O4 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.21 Å) and two longer (2.27 Å) Tm–O bond lengths. Both Tm–Cl bond lengths are 2.64 Å. O2- is bonded to four equivalent Tm3+ atoms to form a mixture of corner and edge-sharing OTm4 tetrahedra. Cl1- is bonded in an L-shaped geometry to two equivalent Tm3+ atoms.
DOI: 10.17188/1289251
title: Materials Data on SrSc2O4 by Materials Project

description: SrSc2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- atoms to form SrO4 tetrahedra that share corners with twelve equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 61–62°. All Sr–O bond lengths are 2.34 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent SrO4 tetrahedra and edges with six equivalent ScO6 octahedra. All Sc–O bond lengths are 2.16 Å. O2- is bonded to one Sr2+ and three equivalent Sc3+ atoms to form a mixture of corner and edge-sharing OSrSc3 tetrahedra.
DOI: 10.17188/1289252
title: Materials Data on BaY2Br8 by Materials Project

description: BaY2Br8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Ba–Br bond distances ranging from 3.25–3.44 Å. Y3+ is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of Y–Br bond distances ranging from 2.60–2.92 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Y3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Y3+ atom. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to one Ba2+ and one Y3+ atom. In the fourth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two equivalent Y3+ atoms.
DOI: 10.17188/1289253
title: Materials Data on YHO2 by Materials Project

description: YHO2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There are a spread of Y–O bond distances ranging from 2.24–2.40 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Y3+ and one H1+ atom. In the second O2- site, O2- is bonded to three equivalent Y3+ and one H1+ atom to form distorted corner-sharing OY3H tetrahedra.
DOI: 10.17188/1289254
title: Materials Data on Sr(AsO3)2 by Materials Project

description: SrAs2O6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Sr–O bond lengths are 2.55 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent SrO6 octahedra and edges with three equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All As–O bond lengths are 1.87 Å. O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two equivalent As5+ atoms.
DOI: 10.17188/1289255
title: Materials Data on Dy2Nb2O7 by Materials Project

description: Dy2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.25 Å) and six longer (2.43 Å) Dy–O bond lengths. Nb4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Nb–O bond lengths are 2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with sixteen ODy4 tetrahedra and edges with six equivalent ODy2Nb2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Nb4+ atoms to form a mixture of distorted corner and edge-sharing ODy2Nb2 tetrahedra.
DOI: 10.17188/1289256
title: Materials Data on NdO2 by Materials Project

description: NdO2 is Fluorite 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 eight equivalent O atoms. All Nd–O bond lengths are 2.46 Å. O is bonded to four equivalent Nd atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra.
DOI: 10.17188/1289257
title: Materials Data on CuAuO2 by Materials Project

description: AuCuO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Au3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.04 Å. Cu1+ is bonded to six equivalent O2- atoms to form edge-sharing CuO6 octahedra. All Cu–O bond lengths are 2.03 Å. O2- is bonded to one Au3+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing OCu3Au tetrahedra.
DOI: 10.17188/1289258
title: Materials Data on Ba3Hf2O7 by Materials Project

description: Ba3Hf2O7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. All Ba–O bond lengths are 2.97 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–2.97 Å. Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with five equivalent HfO6 octahedra and faces with four equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Hf–O bond distances ranging from 2.09–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Hf4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Hf4+ atoms. In the third O2- site, O2- is bonded to five equivalent Ba2+ and one Hf4+ atom to form a mixture of distorted edge and corner-sharing OBa5Hf octahedra. The corner-sharing octahedral tilt angles are 5°.
DOI: 10.17188/1289259
title: Materials Data on HfZrO4 by Materials Project

description: HfZrO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with four equivalent HfO6 octahedra, corners with four equivalent ZrO6 octahedra, and edges with two equivalent ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Hf–O bond distances ranging from 2.09–2.11 Å. Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with four equivalent HfO6 octahedra, corners with four equivalent ZrO6 octahedra, and edges with two equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Zr–O bond distances ranging from 2.12–2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hf4+ and one Zr4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Hf4+ and two equivalent Zr4+ atoms.
DOI: 10.17188/1289260
title: Materials Data on CsDyO2 by Materials Project

description: CsDyO2 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 3.09 Å. Dy3+ is bonded to six equivalent O2- atoms to form edge-sharing DyO6 octahedra. All Dy–O bond lengths are 2.35 Å. O2- is bonded in a 6-coordinate geometry to three equivalent Cs1+ and three equivalent Dy3+ atoms.
DOI: 10.17188/1289261
title: Materials Data on CaSeO3 by Materials Project

description: CaSeO3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form corner-sharing CaO6 octahedra. The corner-sharing octahedra tilt angles range from 57–60°. There are two shorter (2.38 Å) and four longer (2.44 Å) Ca–O bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one Se4+ atom.
DOI: 10.17188/1289262
title: Materials Data on Ce3TaO7 by Materials Project

description: Ce3TaO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to seven O2- atoms to form distorted CeO7 pentagonal bipyramids that share corners with two equivalent TaO6 octahedra, corners with three equivalent CeO7 pentagonal bipyramids, edges with two equivalent TaO6 octahedra, and edges with two equivalent CeO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of Ce–O bond distances ranging from 2.30–2.71 Å. In the second Ce3+ site, Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.73 Å) Ce–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent CeO7 pentagonal bipyramids, and edges with four equivalent CeO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. There are two shorter (2.00 Å) and four longer (2.03 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Ce3+ and one Ta5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ce3+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1289263
title: Materials Data on BaYI5 by Materials Project

description: BaYI5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded to seven I1- atoms to form BaI7 pentagonal bipyramids that share corners with four equivalent YI6 octahedra, edges with two equivalent YI6 octahedra, and edges with two equivalent BaI7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–37°. There are a spread of Ba–I bond distances ranging from 3.42–3.68 Å. Y3+ is bonded to six I1- atoms to form YI6 octahedra that share corners with two equivalent YI6 octahedra, corners with four equivalent BaI7 pentagonal bipyramids, and edges with two equivalent BaI7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 30°. There are a spread of Y–I bond distances ranging from 2.98–3.08 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to one Ba2+ and one Y3+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Y3+ atom. In the third I1- site, I1- is bonded in a 3-coordinate geometry to one Ba2+ and two equivalent Y3+ atoms.
DOI: 10.17188/1289264
title: Materials Data on TbLuO3 by Materials Project

description: LuTbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 43–46°. There are a spread of Lu–O bond distances ranging from 2.17–2.25 Å. Tb3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Tb–O bond distances ranging from 2.24–2.69 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Tb3+ atoms to form distorted corner-sharing OTb2Lu2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and two equivalent Tb3+ atoms.
DOI: 10.17188/1289265
title: Materials Data on Rb3YO3 by Materials Project

description: Rb3YO3 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 2.68–3.21 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.84 Å) and two longer (3.25 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.93 Å) and two longer (3.23 Å) Rb–O bond lengths. Y3+ is bonded to four O2- atoms to form edge-sharing YO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.13–2.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Y3+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Y3+ atom.
DOI: 10.17188/1289266
title: Materials Data on GdOF by Materials Project

description: GdOF is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one GdOF sheet oriented in the (0, 0, 1) direction. Gd3+ is bonded in a 5-coordinate geometry to four equivalent O2- and one F1- atom. All Gd–O bond lengths are 2.27 Å. The Gd–F bond length is 2.28 Å. O2- is bonded to four equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing OGd4 tetrahedra. F1- is bonded in a single-bond geometry to one Gd3+ atom.
DOI: 10.17188/1289267
title: Materials Data on La3GaO6 by Materials Project

description: La3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 pentagonal bipyramids that share a cornercorner with one LaO7 hexagonal pyramid, corners with four equivalent LaO7 pentagonal bipyramids, corners with three equivalent GaO4 tetrahedra, edges with three equivalent LaO7 hexagonal pyramids, edges with two equivalent LaO7 pentagonal bipyramids, an edgeedge with one GaO4 tetrahedra, and a faceface with one LaO7 pentagonal bipyramid. There are a spread of La–O bond distances ranging from 2.34–2.76 Å. In the second La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 hexagonal pyramids that share corners with two equivalent LaO7 pentagonal bipyramids, a cornercorner with one GaO4 tetrahedra, edges with two equivalent LaO7 hexagonal pyramids, edges with six equivalent LaO7 pentagonal bipyramids, and an edgeedge with one GaO4 tetrahedra. There are a spread of La–O bond distances ranging from 2.42–2.59 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share a cornercorner with one LaO7 hexagonal pyramid, corners with six equivalent LaO7 pentagonal bipyramids, an edgeedge with one LaO7 hexagonal pyramid, and edges with two equivalent LaO7 pentagonal bipyramids. There are a spread of Ga–O bond distances ranging from 1.87–1.90 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form OLa4 tetrahedra that share corners with two equivalent OLa4 tetrahedra, corners with six equivalent OLa3Ga trigonal pyramids, edges with three equivalent OLa4 tetrahedra, and an edgeedge with one OLa3Ga trigonal pyramid. In the second O2- site, O2- is bonded to three La3+ and one Ga3+ atom to form distorted OLa3Ga trigonal pyramids that share corners with six equivalent OLa4 tetrahedra, corners with two equivalent OLa3Ga trigonal pyramids, an edgeedge with one OLa4 tetrahedra, and an edgeedge with one OLa3Ga trigonal pyramid. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Ga3+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ga3+ atom.
DOI: 10.17188/1289268
title: Materials Data on YBiO3 by Materials Project

description: BiYO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.26 Å) and three longer (2.37 Å) Y–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted edge-sharing BiO6 octahedra. There are three shorter (2.32 Å) and three longer (2.50 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Y3+ and two equivalent Bi3+ atoms.
DOI: 10.17188/1289269
title: Materials Data on LiH2BrO by Materials Project

description: LiBrH2O crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to two equivalent O2- and four equivalent Br1- atoms to form distorted edge-sharing LiBr4O2 octahedra. Both Li–O bond lengths are 2.09 Å. All Li–Br bond lengths are 2.86 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two equivalent O2- and four equivalent Br1- atoms. Both Li–O bond lengths are 2.07 Å. There are two shorter (2.68 Å) and two longer (3.11 Å) Li–Br bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded to two Li1+ and two equivalent H1+ atoms to form distorted corner-sharing OLi2H2 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four Li1+ atoms.
DOI: 10.17188/1289270
title: Materials Data on CsHoO2 by Materials Project

description: CsHoO2 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 3.09 Å. Ho3+ is bonded to six equivalent O2- atoms to form edge-sharing HoO6 octahedra. All Ho–O bond lengths are 2.34 Å. O2- is bonded in a 6-coordinate geometry to three equivalent Cs1+ and three equivalent Ho3+ atoms.
DOI: 10.17188/1289271
title: Materials Data on AlInO3 by Materials Project

description: InAlO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent AlO5 trigonal bipyramids and edges with six equivalent InO6 octahedra. All In–O bond lengths are 2.20 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with six equivalent InO6 octahedra and corners with six equivalent AlO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. All Al–O bond lengths are 1.90 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Al3+ atoms. In the second O2- site, O2- is bonded to three equivalent In3+ and one Al3+ atom to form a mixture of distorted edge and corner-sharing OAlIn3 tetrahedra.
DOI: 10.17188/1289272
title: Materials Data on KNdO2 by Materials Project

description: KNdO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent NdO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All K–O bond lengths are 2.87 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Nd–O bond lengths are 2.42 Å. O2- is bonded to three equivalent K1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing OK3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1289273
title: Materials Data on Rb3HoO3 by Materials Project

description: Rb3HoO3 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 2.68–3.21 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.84 Å) and two longer (3.24 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.93 Å) and two longer (3.21 Å) Rb–O bond lengths. Ho3+ is bonded to four O2- atoms to form edge-sharing HoO4 tetrahedra. There are a spread of Ho–O bond distances ranging from 2.11–2.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Ho3+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Ho3+ atom.