cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1289164
title: Materials Data on U4BiO10 by Materials Project

description: U4BiO10 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. U+4.25+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.32–2.35 Å. Bi3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Bi–O bond lengths are 2.43 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent U+4.25+ and one Bi3+ atom to form a mixture of edge and corner-sharing OU3Bi tetrahedra. In the second O2- site, O2- is bonded to four equivalent U+4.25+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.
DOI: 10.17188/1289165
title: Materials Data on Rb2PH3SeO8 by Materials Project

description: Rb2PH3SeO8 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.44 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.24 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.49–1.59 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.07 Å) and one longer (1.41 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.54 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.54 Å) H–O bond length. 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. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Rb1+, one P5+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Rb1+, one H1+, and one Se6+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Rb1+, one P5+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Rb1+, one P5+, and one H1+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Rb1+, one H1+, and one Se6+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Rb1+, one H1+, and one Se6+ atom.
DOI: 10.17188/1289166
title: Materials Data on TiOF2 by Materials Project

description: TiOF2 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of one TiOF2 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to two O2- and two F1- atoms to form distorted corner-sharing TiO2F2 tetrahedra. There is one shorter (1.82 Å) and one longer (1.83 Å) Ti–O bond length. There is one shorter (1.79 Å) and one longer (1.80 Å) Ti–F bond length. In the second Ti4+ site, Ti4+ is bonded to two O2- and two F1- atoms to form corner-sharing TiO2F2 tetrahedra. There is one shorter (1.80 Å) and one longer (1.81 Å) Ti–O bond length. There is one shorter (1.78 Å) and one longer (1.82 Å) Ti–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Ti4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Ti4+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ti4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom.
DOI: 10.17188/1289167
title: Materials Data on SiBi3O7 by Materials Project

description: SiBi3O7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.65 Å) and three longer (1.67 Å) Si–O bond length. Bi+3.33+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Bi+3.33+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Si4+ and three equivalent Bi+3.33+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ and three equivalent Bi+3.33+ atoms.
DOI: 10.17188/1289168
title: Materials Data on Li2Ti2S5 by Materials Project

description: Li2Ti2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to five S2- atoms to form distorted LiS5 trigonal bipyramids that share corners with three equivalent LiS5 trigonal bipyramids, corners with six equivalent TiS5 trigonal bipyramids, an edgeedge with one LiS5 trigonal bipyramid, and edges with two equivalent TiS5 trigonal bipyramids. There are a spread of Li–S bond distances ranging from 2.51–2.74 Å. Ti4+ is bonded to five S2- atoms to form TiS5 trigonal bipyramids that share a cornercorner with one TiS5 trigonal bipyramid, corners with six equivalent LiS5 trigonal bipyramids, edges with two equivalent LiS5 trigonal bipyramids, and edges with two equivalent TiS5 trigonal bipyramids. There are a spread of Ti–S bond distances ranging from 2.24–2.49 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Ti4+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Ti4+ atoms. In the third S2- site, S2- is bonded in a distorted trigonal pyramidal geometry to two equivalent Li1+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1289169
title: Materials Data on Sr2Li2Nb4O13 by Materials Project

description: Li2Sr2Nb4O13 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.08 Å) and two longer (2.65 Å) Li–O bond lengths. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight NbO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.74–2.83 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of Nb–O bond distances ranging from 1.94–2.10 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with five NbO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–11°. There are a spread of Nb–O bond distances ranging from 1.90–2.14 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, two equivalent Sr2+, and two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded to four equivalent Li1+ and one Nb5+ atom to form a mixture of distorted edge and corner-sharing OLi4Nb trigonal bipyramids. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two Nb5+ atoms.
DOI: 10.17188/1289170
title: Materials Data on SbOF by Materials Project

description: SbOF crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two SbOF clusters. Sb3+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. There is one shorter (1.96 Å) and one longer (2.00 Å) Sb–O bond length. The Sb–F bond length is 1.97 Å. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb3+ atoms. F1- is bonded in a single-bond geometry to one Sb3+ atom.
DOI: 10.17188/1289171
title: Materials Data on Pr2S2O by Materials Project

description: Pr2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Pr–S bond distances ranging from 2.88–3.05 Å. The Pr–O bond length is 2.37 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Pr–S bond distances ranging from 2.91–3.27 Å. There are one shorter (2.38 Å) and two longer (2.40 Å) Pr–O bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Pr3+ atoms. O2- is bonded to four Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.
DOI: 10.17188/1289172
title: Materials Data on LiAg2F6 by Materials Project

description: LiAg2F6 is Hydrophilite-derived structured and crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with eight AgF6 octahedra and edges with two AgF6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Li–F bond distances ranging from 2.08–2.23 Å. There are two inequivalent Ag+2.50+ sites. In the first Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent AgF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Ag–F bond distances ranging from 2.10–2.22 Å. In the second Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent AgF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Ag–F bond distances ranging from 2.12–2.18 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Ag+2.50+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Ag+2.50+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ag+2.50+ atoms.
DOI: 10.17188/1289173
title: Materials Data on La4Bi2O9 by Materials Project

description: La4Bi2O9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six O2- atoms to form distorted LaO6 octahedra that share corners with two equivalent LaO5 trigonal bipyramids and a cornercorner with one BiO4 trigonal pyramid. There are a spread of La–O bond distances ranging from 2.40–2.52 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.72 Å. In the third La3+ site, La3+ is bonded to five O2- atoms to form distorted LaO5 trigonal bipyramids that share corners with two equivalent LaO6 octahedra, corners with two equivalent BiO4 trigonal pyramids, and an edgeedge with one BiO4 trigonal pyramid. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of La–O bond distances ranging from 2.29–2.52 Å. In the fourth La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.29–2.59 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.59 Å. In the second Bi3+ site, Bi3+ is bonded to four O2- atoms to form BiO4 trigonal pyramids that share a cornercorner with one LaO6 octahedra, corners with two equivalent LaO5 trigonal bipyramids, and an edgeedge with one LaO5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 57°. There are a spread of Bi–O bond distances ranging from 2.14–2.34 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form a mixture of edge and corner-sharing OLa3Bi tetrahedra. In the second O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form a mixture of distorted edge and corner-sharing OLa3Bi tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form a mixture of edge and corner-sharing OLa3Bi tetrahedra. In the fifth O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form a mixture of distorted edge and corner-sharing OLa3Bi tetrahedra. In the sixth O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form a mixture of edge and corner-sharing OLa3Bi tetrahedra. In the seventh O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form a mixture of edge and corner-sharing OLa3Bi tetrahedra. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Bi3+ atom. In the ninth O2- site, O2- is bonded in a trigonal planar geometry to two La3+ and one Bi3+ atom.
DOI: 10.17188/1289175
title: Materials Data on LaTmO2 by Materials Project

description: TmLaO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm is bonded to six equivalent O atoms to form TmO6 octahedra that share corners with six equivalent LaO6 octahedra, edges with six equivalent TmO6 octahedra, and edges with six equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Tm–O bond lengths are 2.29 Å. La is bonded to six equivalent O atoms to form distorted LaO6 octahedra that share corners with six equivalent TmO6 octahedra, edges with six equivalent TmO6 octahedra, and edges with six equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All La–O bond lengths are 2.72 Å. O is bonded to three equivalent Tm and three equivalent La atoms to form a mixture of edge and corner-sharing OLa3Tm3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1289176
title: Materials Data on Er2CuO4 by Materials Project

description: Er2CuO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Er3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Er–O bond distances ranging from 2.20–2.38 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There is two shorter (1.97 Å) and two longer (1.98 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra.
DOI: 10.17188/1289177
title: Materials Data on Bi2B2O7 by Materials Project

description: B2Bi2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.41 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.39 Å) B–O bond length. There are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.04–2.24 Å. In the second Bi4+ site, Bi4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.66 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Bi4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one B3+ and one Bi4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two Bi4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one B3+ and two Bi4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one Bi4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one B3+ and two Bi4+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two Bi4+ atoms.
DOI: 10.17188/1289178
title: Materials Data on Tm2Zr2O7 by Materials Project

description: Tm2Zr2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.27 Å) and six longer (2.48 Å) Tm–O bond lengths. Zr4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Zr–O bond lengths are 2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing OTm2Zr2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tm3+ atoms to form a mixture of edge and corner-sharing OTm4 tetrahedra.
DOI: 10.17188/1289179
title: Materials Data on GdAsO4 by Materials Project

description: GdAsO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.38 Å) and four longer (2.47 Å) Gd–O bond lengths. As5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All As–O bond lengths are 1.73 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one As5+ atom.
DOI: 10.17188/1289180
title: Materials Data on CaTb2O4 by Materials Project

description: CaTb2O4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.30–3.02 Å. Tb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. There are a spread of Tb–O bond distances ranging from 2.24–2.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Ca2+ and four equivalent Tb3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ca2+ and three equivalent Tb3+ atoms to form distorted OCa2Tb3 trigonal bipyramids that share corners with five equivalent OCa2Tb2 tetrahedra, corners with two equivalent OCa2Tb3 trigonal bipyramids, an edgeedge with one OCa2Tb2 tetrahedra, and edges with five equivalent OCa2Tb3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Tb3+ atoms to form OCa2Tb2 tetrahedra that share corners with two equivalent OCa2Tb2 tetrahedra, corners with ten equivalent OCa2Tb3 trigonal bipyramids, and edges with two equivalent OCa2Tb3 trigonal bipyramids.
DOI: 10.17188/1289181
title: Materials Data on Y2HfO5 by Materials Project

description: Y2HfO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.19–2.59 Å. Hf4+ is bonded to six O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Hf–O bond distances ranging from 2.08–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Y3+ and one Hf4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Y3+ and one Hf4+ atom. In the third O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Hf4+ atoms to form distorted corner-sharing OY2Hf2 trigonal pyramids.
DOI: 10.17188/1289182
title: Materials Data on Tm2SeO2 by Materials Project

description: Tm2SeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tm3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and four equivalent O2- atoms. All Tm–Se bond lengths are 2.94 Å. All Tm–O bond lengths are 2.25 Å. Se2- is bonded to six equivalent Tm3+ atoms to form distorted SeTm6 octahedra that share corners with twelve equivalent OTm4 tetrahedra, edges with six equivalent SeTm6 octahedra, and edges with six equivalent OTm4 tetrahedra. O2- is bonded to four equivalent Tm3+ atoms to form OTm4 tetrahedra that share corners with six equivalent SeTm6 octahedra, corners with six equivalent OTm4 tetrahedra, edges with three equivalent SeTm6 octahedra, and edges with three equivalent OTm4 tetrahedra. The corner-sharing octahedra tilt angles range from 28–48°.
DOI: 10.17188/1289184
title: Materials Data on Cs3HoO3 by Materials Project

description: Cs3HoO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.87–3.37 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.99 Å) and two longer (3.40 Å) Cs–O bond lengths. In the third Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (3.12 Å) and two longer (3.27 Å) Cs–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 2.13–2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Ho3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to six Cs1+ and one Ho3+ atom.