cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1203696
title: Materials Data on K4Au6S5 by Materials Project

description: K4Au6S5 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to four equivalent Au1+ and five S2- atoms. There are two shorter (3.51 Å) and two longer (3.61 Å) K–Au bond lengths. There are a spread of K–S bond distances ranging from 3.23–3.81 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All K–S bond lengths are 3.49 Å. Au1+ is bonded in a 4-coordinate geometry to two equivalent K1+ and two S2- atoms. There are one shorter (2.33 Å) and one longer (2.36 Å) Au–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five K1+ and two equivalent Au1+ atoms. In the second S2- site, S2- is bonded to three equivalent K1+ and three equivalent Au1+ atoms to form face-sharing SK3Au3 octahedra.
DOI: 10.17188/1203697
title: Materials Data on Ca3PCl3 by Materials Project

description: Ca3Cl3P crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to two equivalent P3- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing CaP2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ca–P bond lengths are 2.86 Å. All Ca–Cl bond lengths are 2.86 Å. P3- is bonded to six equivalent Ca2+ atoms to form corner-sharing PCa6 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a square co-planar geometry to four equivalent Ca2+ atoms.
DOI: 10.17188/1203698
title: Materials Data on NaCu3F7 by Materials Project

description: NaCu3F7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.36–2.88 Å. There are three inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra tilt angles range from 41–59°. There are a spread of Cu–F bond distances ranging from 1.92–2.38 Å. In the second Cu2+ site, Cu2+ is bonded to six F1- atoms to form distorted corner-sharing CuF6 octahedra. The corner-sharing octahedra tilt angles range from 41–59°. There are a spread of Cu–F bond distances ranging from 1.91–2.39 Å. In the third Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.88 Å) and two longer (1.97 Å) Cu–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two Cu2+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and three Cu2+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+ and two Cu2+ atoms.
DOI: 10.17188/1203699
title: Materials Data on LiGaCl3 by Materials Project

description: LiGaCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing LiCl6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of Li–Cl bond distances ranging from 2.56–2.83 Å. There are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three Cl1- atoms. There are one shorter (2.27 Å) and two longer (2.28 Å) Ga–Cl bond lengths. In the second Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three Cl1- atoms. There are one shorter (2.25 Å) and two longer (2.28 Å) Ga–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li1+ and one Ga2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Ga2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li1+ and one Ga2+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Ga2+ atom.
DOI: 10.17188/1203700
title: Materials Data on LiGaI3 by Materials Project

description: LiGaI3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six I1- atoms to form corner-sharing LiI6 octahedra. The corner-sharing octahedra tilt angles range from 41–46°. There are a spread of Li–I bond distances ranging from 2.96–3.17 Å. In the second Li1+ site, Li1+ is bonded to six I1- atoms to form corner-sharing LiI6 octahedra. The corner-sharing octahedra tilt angles range from 42–51°. There are a spread of Li–I bond distances ranging from 2.99–3.21 Å. There are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three I1- atoms. There are one shorter (2.64 Å) and two longer (2.66 Å) Ga–I bond lengths. In the second Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three I1- atoms. There are one shorter (2.64 Å) and two longer (2.65 Å) Ga–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li1+ and one Ga2+ atom. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to two Li1+ and one Ga2+ atom. In the third I1- site, I1- is bonded in a distorted trigonal planar geometry to two Li1+ and one Ga2+ atom. In the fourth I1- site, I1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one Ga2+ atom.
DOI: 10.17188/1203701
title: Materials Data on HSN by Materials Project

description: SHN1 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules. there are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted trigonal planar geometry to one H1+ and two equivalent S2- atoms. The N–H bond length is 1.03 Å. Both N–S bond lengths are 1.69 Å. In the second N1+ site, N1+ is bonded in a trigonal planar geometry to one H1+ and two equivalent S2- atoms. The N–H bond length is 1.02 Å. Both N–S bond lengths are 1.68 Å. In the third N1+ site, N1+ is bonded in a distorted trigonal planar geometry to one H1+ and two S2- atoms. The N–H bond length is 1.02 Å. Both N–S bond lengths are 1.68 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two N1+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two N1+ atoms.
DOI: 10.17188/1203702
title: Materials Data on Li2GeAu by Materials Project

description: Li2AuGe crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six equivalent Au and four equivalent Ge atoms to form distorted LiGe4Au6 tetrahedra that share corners with eighteen LiAu4 tetrahedra and faces with sixteen LiGe4Au6 tetrahedra. All Li–Au bond lengths are 3.13 Å. All Li–Ge bond lengths are 2.71 Å. In the second Li site, Li is bonded to four equivalent Au atoms to form distorted LiAu4 tetrahedra that share corners with twenty-four LiAu4 tetrahedra and faces with four equivalent LiGe4Au6 tetrahedra. All Li–Au bond lengths are 2.71 Å. Au is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Ge atoms. All Au–Ge bond lengths are 2.71 Å. Ge is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Au atoms.
DOI: 10.17188/1203703
title: Materials Data on Ba2PdO3 by Materials Project

description: Ba2PdO3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded to seven O2- atoms to form a mixture of distorted face, edge, and corner-sharing BaO7 pentagonal bipyramids. There are a spread of Ba–O bond distances ranging from 2.69–2.85 Å. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.08 Å) and two longer (2.09 Å) Pd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ba2+ and two equivalent Pd2+ atoms to form OBa4Pd2 octahedra that share corners with fourteen OBa4Pd2 octahedra, edges with two equivalent OBa4Pd2 octahedra, and faces with four equivalent OBa5Pd octahedra. The corner-sharing octahedra tilt angles range from 0–59°. In the second O2- site, O2- is bonded to five equivalent Ba2+ and one Pd2+ atom to form OBa5Pd octahedra that share corners with eleven OBa4Pd2 octahedra, edges with eight equivalent OBa5Pd octahedra, and faces with two equivalent OBa4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–59°.
DOI: 10.17188/1203704
title: Materials Data on Ba3(TaS4)2 by Materials Project

description: Ba3Ta2S8 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are five inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are four shorter (3.28 Å) and four longer (3.29 Å) Ba–S bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven S2- atoms. There are a spread of Ba–S bond distances ranging from 3.20–3.52 Å. In the third Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of Ba–S bond distances ranging from 3.20–3.53 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of Ba–S bond distances ranging from 3.20–3.53 Å. In the fifth Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven S2- atoms. There are a spread of Ba–S bond distances ranging from 3.20–3.65 Å. There are four inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six S2- atoms to form face-sharing TaS6 octahedra. There are two shorter (2.42 Å) and four longer (2.47 Å) Ta–S bond lengths. In the second Ta5+ site, Ta5+ is bonded to six S2- atoms to form face-sharing TaS6 octahedra. There are two shorter (2.42 Å) and four longer (2.47 Å) Ta–S bond lengths. In the third Ta5+ site, Ta5+ is bonded to six S2- atoms to form face-sharing TaS6 octahedra. There are a spread of Ta–S bond distances ranging from 2.31–2.66 Å. In the fourth Ta5+ site, Ta5+ is bonded to six S2- atoms to form distorted face-sharing TaS6 octahedra. There are a spread of Ta–S bond distances ranging from 2.31–2.66 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Ba2+ and one Ta5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four Ba2+ and one Ta5+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three Ba2+ and two Ta5+ atoms. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to four Ba2+ and one Ta5+ atom. In the fifth S2- site, S2- is bonded in a distorted single-bond geometry to four Ba2+ and one Ta5+ atom. In the sixth S2- site, S2- is bonded in a 6-coordinate geometry to four Ba2+ and two Ta5+ atoms. In the seventh S2- site, S2- is bonded in a 6-coordinate geometry to four Ba2+ and two Ta5+ atoms. In the eighth S2- site, S2- is bonded in a 5-coordinate geometry to three Ba2+ and two Ta5+ atoms.
DOI: 10.17188/1203705
title: Materials Data on NaTeF5 by Materials Project

description: NaTeF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to seven F1- atoms to form distorted NaF7 pentagonal bipyramids that share corners with five equivalent TeF5 square pyramids, edges with two equivalent NaF7 pentagonal bipyramids, and an edgeedge with one TeF5 square pyramid. There are a spread of Na–F bond distances ranging from 2.30–2.68 Å. Te4+ is bonded to five F1- atoms to form TeF5 square pyramids that share corners with five equivalent NaF7 pentagonal bipyramids and an edgeedge with one NaF7 pentagonal bipyramid. There are a spread of Te–F bond distances ranging from 1.92–2.03 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Na1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one Te4+ atom.
DOI: 10.17188/1203706
title: Materials Data on NaTi2O4 by Materials Project

description: NaTi2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.63 Å. There are two inequivalent Ti+3.50+ sites. In the first Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Ti–O bond distances ranging from 1.98–2.05 Å. In the second Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are four shorter (2.02 Å) and two longer (2.03 Å) Ti–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and three equivalent Ti+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2Ti3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Ti+3.50+ atoms. In the third O2- site, O2- is bonded to two equivalent Na1+ and three equivalent Ti+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2Ti3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Ti+3.50+ atoms.
DOI: 10.17188/1203707
title: Materials Data on Zr6CCl14 by Materials Project

description: Zr6Cl14C crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Zr3+ sites. In the first Zr3+ site, Zr3+ is bonded to one C4- and five Cl1- atoms to form a mixture of distorted corner and edge-sharing ZrCCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. The Zr–C bond length is 2.24 Å. There are four shorter (2.53 Å) and one longer (3.03 Å) Zr–Cl bond lengths. In the second Zr3+ site, Zr3+ is bonded to one C4- and five Cl1- atoms to form a mixture of corner and edge-sharing ZrCCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. The Zr–C bond length is 2.32 Å. There are a spread of Zr–Cl bond distances ranging from 2.52–2.69 Å. C4- is bonded in an octahedral geometry to six Zr3+ atoms. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Zr3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Zr3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two Zr3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two Zr3+ atoms. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr3+ atoms.
DOI: 10.17188/1203708
title: Materials Data on Zr6BCl14 by Materials Project

description: Zr6Cl14B crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Zr+2.83+ sites. In the first Zr+2.83+ site, Zr+2.83+ is bonded to one B3- and five Cl1- atoms to form a mixture of corner and edge-sharing ZrBCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. The Zr–B bond length is 2.31 Å. There are four shorter (2.54 Å) and one longer (2.97 Å) Zr–Cl bond lengths. In the second Zr+2.83+ site, Zr+2.83+ is bonded to one B3- and five Cl1- atoms to form a mixture of corner and edge-sharing ZrBCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. The Zr–B bond length is 2.37 Å. There are a spread of Zr–Cl bond distances ranging from 2.52–2.67 Å. B3- is bonded in an octahedral geometry to six Zr+2.83+ atoms. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Zr+2.83+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Zr+2.83+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Zr+2.83+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Zr+2.83+ atoms. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr+2.83+ atoms.
DOI: 10.17188/1203709
title: Materials Data on Na2PdCl4 by Materials Project

description: Na2PdCl4 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Cl1- atoms to form a mixture of distorted corner and edge-sharing NaCl6 pentagonal pyramids. There are a spread of Na–Cl bond distances ranging from 2.84–2.88 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.34 Å. Cl1- is bonded in a rectangular see-saw-like geometry to three equivalent Na1+ and one Pd2+ atom.
DOI: 10.17188/1203710
title: Materials Data on K2U2O7 by Materials Project

description: K2U2O7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six O2- atoms to form KO6 octahedra that share corners with six UO6 octahedra and edges with six KO6 octahedra. The corner-sharing octahedra tilt angles range from 54–59°. There are a spread of K–O bond distances ranging from 2.71–2.83 Å. In the second K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share corners with six UO6 octahedra and edges with six KO6 octahedra. The corner-sharing octahedra tilt angles range from 53–59°. There are a spread of K–O bond distances ranging from 2.71–2.86 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with five UO6 octahedra, corners with six KO6 octahedra, and an edgeedge with one UO6 octahedra. The corner-sharing octahedra tilt angles range from 9–59°. There are a spread of U–O bond distances ranging from 1.88–2.32 Å. In the second U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with five UO6 octahedra, corners with six KO6 octahedra, and an edgeedge with one UO6 octahedra. The corner-sharing octahedra tilt angles range from 9–59°. There are a spread of U–O bond distances ranging from 1.89–2.28 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two U6+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one U6+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three U6+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms. In the seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one U6+ atom.
DOI: 10.17188/1203711
title: Materials Data on GaCuCl4 by Materials Project

description: CuGaCl4 crystallizes in the tetragonal P-42c space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Cl1- atoms to form CuCl4 tetrahedra that share corners with four equivalent GaCl4 tetrahedra. All Cu–Cl bond lengths are 2.34 Å. Ga3+ is bonded to four equivalent Cl1- atoms to form GaCl4 tetrahedra that share corners with four equivalent CuCl4 tetrahedra. All Ga–Cl bond lengths are 2.22 Å. Cl1- is bonded in a water-like geometry to one Cu1+ and one Ga3+ atom.
DOI: 10.17188/1203712
title: Materials Data on Rb3GaP2 by Materials Project

description: Rb3GaP2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are six inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.43–3.60 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.49–3.70 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.39–3.64 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.56–3.92 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.47–3.63 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three P3- atoms. There are a spread of Rb–P bond distances ranging from 3.38–3.67 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of Ga–P bond distances ranging from 2.28–2.41 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three P3- atoms. There are one shorter (2.25 Å) and two longer (2.40 Å) Ga–P bond lengths. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 2-coordinate geometry to four Rb1+ and two Ga3+ atoms. In the second P3- site, P3- is bonded in a 1-coordinate geometry to eight Rb1+ and one Ga3+ atom. In the third P3- site, P3- is bonded in a 7-coordinate geometry to five Rb1+ and two Ga3+ atoms. In the fourth P3- site, P3- is bonded in a 1-coordinate geometry to six Rb1+ and one Ga3+ atom.