cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1208330
title: Materials Data on SrHfO3 by Materials Project

description: SrHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.96 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.71–3.12 Å. Hf4+ is bonded to six O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedra tilt angles range from 15–24°. All Hf–O bond lengths are 2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Sr2+ and two equivalent Hf4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two equivalent Hf4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Hf4+ atoms.
DOI: 10.17188/1208331
title: Materials Data on BNF8 by Materials Project

description: BF4NF4 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P-42_1m space group. The structure is zero-dimensional and consists of four tetrafluoroazanium molecules and four BF4 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom.
DOI: 10.17188/1208332
title: Materials Data on NaTaO3 by Materials Project

description: NaTaO3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.55 Å) and four longer (2.77 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.55 Å) and four longer (2.77 Å) Na–O bond lengths. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. All Ta–O bond lengths are 2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four Na1+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1208333
title: Materials Data on La3(B3Ru4)2 by Materials Project

description: La3Ru8B6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to two La, twelve Ru, and six equivalent B atoms. Both La–La bond lengths are 3.21 Å. There are four shorter (3.19 Å) and eight longer (3.21 Å) La–Ru bond lengths. There are four shorter (3.25 Å) and two longer (3.26 Å) La–B bond lengths. In the second La site, La is bonded in a 6-coordinate geometry to one La, ten Ru, and eight equivalent B atoms. There are a spread of La–Ru bond distances ranging from 3.07–3.30 Å. There are a spread of La–B bond distances ranging from 3.05–3.31 Å. In the third La site, La is bonded in a 6-coordinate geometry to one La, ten Ru, and eight equivalent B atoms. There are a spread of La–Ru bond distances ranging from 3.07–3.30 Å. There are a spread of La–B bond distances ranging from 3.05–3.31 Å. There are three inequivalent Ru sites. In the first Ru site, Ru is bonded in a distorted square co-planar geometry to four La and four B atoms. There are two shorter (2.21 Å) and two longer (2.22 Å) Ru–B bond lengths. In the second Ru site, Ru is bonded in a distorted square co-planar geometry to four La and four B atoms. There are two shorter (2.19 Å) and two longer (2.26 Å) Ru–B bond lengths. In the third Ru site, Ru is bonded in a 4-coordinate geometry to four equivalent La and four equivalent B atoms. All Ru–B bond lengths are 2.15 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent La and six Ru atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent La and six Ru atoms. There are two shorter (3.25 Å) and one longer (3.26 Å) B–La bond lengths. There are four shorter (2.21 Å) and two longer (2.26 Å) B–Ru bond lengths. In the third B site, B is bonded in a 5-coordinate geometry to four equivalent La and five Ru atoms.
DOI: 10.17188/1208334
title: Materials Data on Zr2AlN by Materials Project

description: Zr2AlN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent N atoms. All Zr–Al bond lengths are 2.99 Å. All Zr–N bond lengths are 2.28 Å. Al is bonded in a 6-coordinate geometry to six equivalent Zr atoms. N is bonded to six equivalent Zr atoms to form edge-sharing NZr6 octahedra.
DOI: 10.17188/1208335
title: Materials Data on AlF3 by Materials Project

description: AlF3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Al3+ is bonded to six equivalent F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Al–F bond lengths are 1.82 Å. F1- is bonded in a bent 150 degrees geometry to two equivalent Al3+ atoms.
DOI: 10.17188/1208336
title: Materials Data on NaNbO3 by Materials Project

description: NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–2.68 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.37–2.84 Å. Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 17–29°. There are a spread of Nb–O bond distances ranging from 1.89–2.21 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+ and two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1208337
title: Materials Data on ZnSeO3 by Materials Project

description: ZnSeO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form corner-sharing ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of Zn–O bond distances ranging from 2.08–2.28 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.75 Å) and two longer (1.76 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Zn2+ and one Se4+ atom.
DOI: 10.17188/1208338
title: Materials Data on Al7FeCu2 by Materials Project

description: Al7Cu2Fe crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.43–2.48 Å. Cu is bonded in a 10-coordinate geometry to two equivalent Cu and eight Al atoms. Both Cu–Cu bond lengths are 2.56 Å. There are a spread of Cu–Al bond distances ranging from 2.53–2.68 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Fe and four equivalent Cu atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to one Fe and three equivalent Cu atoms. In the third Al site, Al is bonded in a distorted bent 150 degrees geometry to two equivalent Fe atoms.
DOI: 10.17188/1208339
title: Materials Data on K3TaO8 by Materials Project

description: K3TaO8 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four equivalent O atoms. All K–O bond lengths are 2.72 Å. In the second K site, K is bonded to eight O atoms to form KO8 hexagonal bipyramids that share corners with four equivalent TaO8 hexagonal bipyramids, corners with four equivalent OK3TaO trigonal bipyramids, and edges with two equivalent TaO8 hexagonal bipyramids. There are four shorter (2.82 Å) and four longer (2.88 Å) K–O bond lengths. Ta is bonded to eight O atoms to form distorted TaO8 hexagonal bipyramids that share corners with four equivalent KO8 hexagonal bipyramids, corners with four equivalent OK3TaO trigonal bipyramids, and edges with two equivalent KO8 hexagonal bipyramids. There are four shorter (2.03 Å) and four longer (2.08 Å) Ta–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to three K, one Ta, and one O atom to form distorted OK3TaO trigonal bipyramids that share a cornercorner with one KO8 hexagonal bipyramid, a cornercorner with one TaO8 hexagonal bipyramid, corners with ten equivalent OK3TaO trigonal bipyramids, and an edgeedge with one OK3TaO trigonal bipyramid. The O–O bond length is 1.51 Å. In the second O site, O is bonded in a 7-coordinate geometry to one K, one Ta, and one O atom.
DOI: 10.17188/1208340
title: Materials Data on Ag2CO3 by Materials Project

description: Ag2CO3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.23–2.89 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.30 Å) and one longer (1.31 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ag1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ag1+ and one C4+ atom.
DOI: 10.17188/1208341
title: Materials Data on Dy(SiNi)2 by Materials Project

description: DyNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Dy–Si bond lengths are 3.05 Å. Ni+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.30 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Dy3+, four equivalent Ni+2.50+, and one Si4- atom. The Si–Si bond length is 2.41 Å.
DOI: 10.17188/1208342
title: Materials Data on RbAlF4 by Materials Project

description: RbAlF4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight equivalent F1- atoms. There are four shorter (2.94 Å) and four longer (3.01 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. There are four shorter (2.96 Å) and four longer (2.99 Å) Rb–F bond lengths. Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 15–18°. There are a spread of Al–F bond distances ranging from 1.78–1.87 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Al3+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Al3+ atoms.
DOI: 10.17188/1208343
title: Materials Data on Zn(CrSe2)2 by Materials Project

description: ZnCr2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent ZnSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.54 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–Se bond lengths are 2.49 Å. Se2- is bonded to three equivalent Cr3+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing SeZnCr3 trigonal pyramids.
DOI: 10.17188/1208344
title: Materials Data on K2Ge8O17 by Materials Project

description: K2Ge8O17 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first 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 2.81–2.90 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 2.74–3.02 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to five O2- atoms to form GeO5 trigonal bipyramids that share corners with three GeO4 tetrahedra and an edgeedge with one GeO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.83–1.92 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three GeO4 tetrahedra and a cornercorner with one GeO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.75–1.78 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form distorted GeO4 tetrahedra that share corners with three GeO4 tetrahedra and a cornercorner with one GeO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.77–1.80 Å. In the fourth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three GeO4 tetrahedra and a cornercorner with one GeO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.76–1.78 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two Ge4+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Ge4+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two Ge4+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+ and two equivalent Ge4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+ and two equivalent Ge4+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Ge4+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the eleventh O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent Ge4+ atoms.
DOI: 10.17188/1208345
title: Materials Data on NaTaO3 by Materials Project

description: NaTaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–3.07 Å. In the second Na1+ site, Na1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Na–O bond distances ranging from 2.57–2.95 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 17–24°. All Ta–O bond lengths are 2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Na1+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Na1+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1208346
title: Materials Data on C by Materials Project

description: C is Lonsdaleite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. C is bonded to four equivalent C atoms to form corner-sharing CC4 tetrahedra. There is three shorter (1.54 Å) and one longer (1.57 Å) C–C bond length.
DOI: 10.17188/1208348
title: Materials Data on CuSnF6 by Materials Project

description: CuSnF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one CuSnF6 ribbon oriented in the (1, 1, 1) direction. Cu2+ is bonded in a distorted square co-planar geometry to six F1- atoms. There are a spread of Cu–F bond distances ranging from 1.93–2.70 Å. Sn4+ is bonded in a linear geometry to two equivalent F1- atoms. Both Sn–F bond lengths are 1.18 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cu2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Cu2+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Cu2+ atom.
DOI: 10.17188/1208349
title: Materials Data on Th(Al2Fe)4 by Materials Project

description: Th(FeAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Th–Fe bond lengths are 3.36 Å. There are four shorter (3.04 Å) and eight longer (3.20 Å) Th–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Th, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.52 Å. There are four shorter (2.55 Å) and four longer (2.67 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Th, four equivalent Fe, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.74–2.79 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one Th, four equivalent Fe, and five Al atoms. The Al–Al bond length is 2.72 Å.
DOI: 10.17188/1208350
title: Materials Data on CdAs2 by Materials Project

description: CdAs2 crystallizes in the tetragonal I4_122 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent As1- atoms to form distorted corner-sharing CdAs4 trigonal pyramids. All Cd–As bond lengths are 2.76 Å. As1- is bonded in a 4-coordinate geometry to two equivalent Cd2+ and two equivalent As1- atoms. Both As–As bond lengths are 2.48 Å.
DOI: 10.17188/1208351
title: Materials Data on Hg3(BO3)2 by Materials Project

description: Hg3(BO3)2 crystallizes in the trigonal R-3c space group. The structure is two-dimensional and consists of six Hg3(BO3)2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.06 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. O2- is bonded in a 2-coordinate geometry to one Hg2+ and one B3+ atom.
DOI: 10.17188/1208352
title: Materials Data on Li2CuO2 by Materials Project

description: Li2CuO2 is Spinel-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. There is two shorter (1.95 Å) and two longer (1.99 Å) Li–O bond length. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.98 Å. O2- is bonded to four equivalent Li1+ and two equivalent Cu2+ atoms to form a mixture of edge and corner-sharing OLi4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–36°.
DOI: 10.17188/1208353
title: Materials Data on NdTaO4 by Materials Project

description: NdTaO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.55 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.88–2.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Ta5+ atom.
DOI: 10.17188/1208354
title: Materials Data on Si2Ni6B by Materials Project

description: Ni6Si2B crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ni+1.83+ sites. In the first Ni+1.83+ site, Ni+1.83+ is bonded in a 2-coordinate geometry to two equivalent B3- and two equivalent Si4- atoms. Both Ni–B bond lengths are 2.07 Å. Both Ni–Si bond lengths are 2.35 Å. In the second Ni+1.83+ site, Ni+1.83+ is bonded in a 5-coordinate geometry to one B3- and four equivalent Si4- atoms. The Ni–B bond length is 2.38 Å. All Ni–Si bond lengths are 2.37 Å. B3- is bonded in a 9-coordinate geometry to nine Ni+1.83+ atoms. Si4- is bonded in a 9-coordinate geometry to nine Ni+1.83+ atoms.
DOI: 10.17188/1208355
title: Materials Data on RbSb3Se5 by Materials Project

description: RbSb3Se5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.61–4.15 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.63–3.13 Å. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.57–2.69 Å. In the third Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.63–3.17 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Sb3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two Sb3+ atoms. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Sb3+ atoms. In the fourth Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Sb3+ atoms. In the fifth Se2- site, Se2- is bonded in a distorted L-shaped geometry to two equivalent Rb1+ and two Sb3+ atoms.