cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1290432
title: Materials Data on Li2CrS3 by Materials Project

description: Li2CrS3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent LiS6 octahedra, corners with four CrS6 octahedra, edges with four CrS6 octahedra, and edges with eight LiS6 octahedra. The corner-sharing octahedra tilt angles range from 7–10°. There are a spread of Li–S bond distances ranging from 2.48–2.75 Å. In the second Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent LiS6 octahedra, corners with four CrS6 octahedra, edges with four CrS6 octahedra, and edges with eight LiS6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Li–S bond distances ranging from 2.50–2.68 Å. In the third Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with six LiS6 octahedra, edges with six LiS6 octahedra, and edges with six CrS6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are a spread of Li–S bond distances ranging from 2.57–2.60 Å. There are two inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with six LiS6 octahedra, edges with three equivalent CrS6 octahedra, and edges with nine LiS6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. There are four shorter (2.37 Å) and two longer (2.38 Å) Cr–S bond lengths. In the second Cr4+ site, Cr4+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with six LiS6 octahedra, edges with three equivalent CrS6 octahedra, and edges with nine LiS6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. There are four shorter (2.37 Å) and two longer (2.39 Å) Cr–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four Li1+ and two Cr4+ atoms to form a mixture of edge and corner-sharing SLi4Cr2 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the second S2- site, S2- is bonded to four Li1+ and two Cr4+ atoms to form a mixture of edge and corner-sharing SLi4Cr2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the third S2- site, S2- is bonded to four Li1+ and two Cr4+ atoms to form a mixture of edge and corner-sharing SLi4Cr2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°.
DOI: 10.17188/1290434
title: Materials Data on Ba2Hf7O16 by Materials Project

description: Ba2Hf7O16 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.69–2.73 Å. There are two inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded to six equivalent O2- atoms to form corner-sharing HfO6 octahedra. All Hf–O bond lengths are 2.10 Å. In the second Hf4+ site, Hf4+ is bonded to seven O2- atoms to form distorted HfO7 pentagonal bipyramids that share a cornercorner with one HfO6 octahedra, corners with two equivalent HfO7 pentagonal bipyramids, and edges with seven equivalent HfO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are a spread of Hf–O bond distances ranging from 2.04–2.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ba2+ and three equivalent Hf4+ atoms to form a mixture of distorted corner and edge-sharing OBaHf3 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+ and three equivalent Hf4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two Hf4+ atoms. In the fourth O2- site, O2- is bonded to four equivalent Hf4+ atoms to form a mixture of distorted corner and edge-sharing OHf4 tetrahedra.
DOI: 10.17188/1290435
title: Materials Data on RbHO by Materials Project

description: RbOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to one H1+ and three equivalent O2- atoms. The Rb–H bond length is 2.79 Å. There are two shorter (2.85 Å) and one longer (3.04 Å) Rb–O bond lengths. H1+ is bonded in a single-bond geometry to one Rb1+ and one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one H1+ atom.
DOI: 10.17188/1290436
title: Materials Data on Li2FeS2 by Materials Project

description: Li2FeS2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with eight LiS4 tetrahedra, edges with two equivalent LiS4 tetrahedra, and edges with two equivalent FeS4 tetrahedra. There are three shorter (2.49 Å) and one longer (2.50 Å) Li–S bond lengths. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with eight LiS4 tetrahedra, edges with two equivalent LiS4 tetrahedra, and edges with two equivalent FeS4 tetrahedra. There are one shorter (2.48 Å) and three longer (2.50 Å) Li–S bond lengths. In the third Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with eight LiS4 tetrahedra, edges with two equivalent LiS4 tetrahedra, and edges with two equivalent FeS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.47–2.52 Å. In the fourth Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with eight LiS4 tetrahedra, edges with two equivalent LiS4 tetrahedra, and edges with two equivalent FeS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.48–2.52 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with eight LiS4 tetrahedra, edges with two equivalent FeS4 tetrahedra, and edges with four LiS4 tetrahedra. There are a spread of Fe–S bond distances ranging from 2.33–2.35 Å. In the second Fe2+ site, Fe2+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with eight LiS4 tetrahedra, edges with two equivalent FeS4 tetrahedra, and edges with four LiS4 tetrahedra. There are a spread of Fe–S bond distances ranging from 2.33–2.35 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted hexagonal planar geometry to four Li1+ and two Fe2+ atoms. In the second S2- site, S2- is bonded in a distorted hexagonal planar geometry to four Li1+ and two Fe2+ atoms. In the third S2- site, S2- is bonded in a distorted hexagonal planar geometry to four Li1+ and two Fe2+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to four Li1+ and two Fe2+ atoms.
DOI: 10.17188/1290437
title: Materials Data on LiCu3O4 by Materials Project

description: LiCu3O4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share edges with two equivalent LiO6 octahedra and edges with four equivalent CuO6 octahedra. There are a spread of Li–O bond distances ranging from 2.09–2.31 Å. There are three inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded to six O2- atoms to form CuO6 octahedra that share edges with two equivalent CuO6 octahedra and edges with four equivalent LiO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.95–2.40 Å. In the second Cu+2.33+ site, Cu+2.33+ is bonded in a distorted square co-planar geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.92–2.63 Å. In the third Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.92 Å) and two longer (1.97 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Li1+ and four Cu+2.33+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+ and four Cu+2.33+ atoms.
DOI: 10.17188/1290438
title: Materials Data on Cd(GaO2)2 by Materials Project

description: CdGa2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.37–2.60 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 49–57°. There are a spread of Ga–O bond distances ranging from 1.99–2.06 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 49–57°. There are a spread of Ga–O bond distances ranging from 1.98–2.06 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Cd2+ and three Ga3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Cd2+ and three equivalent Ga3+ atoms. In the third O2- site, O2- is bonded to two equivalent Cd2+ and three equivalent Ga3+ atoms to form distorted edge-sharing OCd2Ga3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Cd2+ and three Ga3+ atoms.
DOI: 10.17188/1290439
title: Materials Data on Tm4(B2O5)3 by Materials Project

description: Tm4(B2O5)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six O2- atoms to form edge-sharing TmO6 octahedra. There are a spread of Tm–O bond distances ranging from 2.18–2.38 Å. In the second Tm3+ site, Tm3+ is bonded to six O2- atoms to form edge-sharing TmO6 octahedra. There are three shorter (2.13 Å) and three longer (2.32 Å) Tm–O bond lengths. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.40 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.41 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one B3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two Tm3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Tm3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tm3+ and one B3+ atom.
DOI: 10.17188/1290440
title: Materials Data on Li2(VS2)3 by Materials Project

description: Li2(VS2)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Li1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Li–S bond lengths are 2.29 Å. V+3.33+ is bonded to six S2- atoms to form distorted edge-sharing VS6 pentagonal pyramids. There are two shorter (2.35 Å) and four longer (2.37 Å) V–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three equivalent V+3.33+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent V+3.33+ atoms.
DOI: 10.17188/1290441
title: Materials Data on Li14Mn2S9 by Materials Project

description: Li14Mn2S9 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share a cornercorner with one MnS4 tetrahedra, corners with fourteen LiS4 tetrahedra, an edgeedge with one MnS4 tetrahedra, and edges with four LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.45–2.59 Å. In the second Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with two equivalent MnS4 tetrahedra, corners with twelve LiS4 tetrahedra, an edgeedge with one MnS4 tetrahedra, and edges with four LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.43–2.54 Å. In the third Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with three equivalent MnS4 tetrahedra, corners with ten LiS4 tetrahedra, and edges with six LiS4 tetrahedra. There are three shorter (2.46 Å) and one longer (2.50 Å) Li–S bond lengths. Mn2+ is bonded to four S2- atoms to form MnS4 tetrahedra that share corners with twelve LiS4 tetrahedra and edges with six LiS4 tetrahedra. There are one shorter (2.38 Å) and three longer (2.39 Å) Mn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to six Li1+ and one Mn2+ atom to form a mixture of distorted edge and corner-sharing SLi6Mn hexagonal pyramids. In the second S2- site, S2- is bonded in a 7-coordinate geometry to six equivalent Li1+ and one Mn2+ atom. In the third S2- site, S2- is bonded in a body-centered cubic geometry to eight Li1+ atoms.
DOI: 10.17188/1290442
title: Materials Data on TaTl3S4 by Materials Project

description: Tl3TaS4 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two Tl3TaS4 frameworks. Ta5+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Ta–S bond lengths are 2.29 Å. Tl1+ is bonded in a 12-coordinate geometry to four equivalent S2- atoms. All Tl–S bond lengths are 3.20 Å. S2- is bonded in a distorted single-bond geometry to one Ta5+ and three equivalent Tl1+ atoms.
DOI: 10.17188/1290443
title: Materials Data on Ba2SrI6 by Materials Project

description: Ba2SrI6 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Ba–I bond distances ranging from 3.48–4.08 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Ba–I bond distances ranging from 3.47–3.99 Å. Sr2+ is bonded in an octahedral geometry to six I1- atoms. There are a spread of Sr–I bond distances ranging from 3.23–3.27 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to two Ba2+ and one Sr2+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three Ba2+ and one Sr2+ atom. In the third I1- site, I1- is bonded in a 4-coordinate geometry to three Ba2+ and one Sr2+ atom. In the fourth I1- site, I1- is bonded in a 4-coordinate geometry to three Ba2+ and one Sr2+ atom. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three Ba2+ and one Sr2+ atom. In the sixth I1- site, I1- is bonded in a distorted T-shaped geometry to two Ba2+ and one Sr2+ atom.
DOI: 10.17188/1290444
title: Materials Data on ScBiO3 by Materials Project

description: BiScO3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two shorter (2.14 Å) and four longer (2.15 Å) Sc–O bond lengths. In the second Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two shorter (2.14 Å) and four longer (2.15 Å) Sc–O bond lengths. In the third Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are four shorter (2.14 Å) and two longer (2.15 Å) Sc–O bond lengths. In the fourth Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are four shorter (2.14 Å) and two longer (2.15 Å) Sc–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.87 Å. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.85 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Sc3+ and two Bi3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two Sc3+ and three Bi3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two Sc3+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Sc3+ and three Bi3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Sc3+ and three Bi3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Sc3+ and two Bi3+ atoms.
DOI: 10.17188/1290445
title: Materials Data on Li8BiS6 by Materials Project

description: Li8BiS6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent S+1.83- atoms to form LiS4 tetrahedra that share corners with two equivalent BiS6 octahedra, corners with four equivalent LiS6 octahedra, corners with six equivalent LiS4 tetrahedra, an edgeedge with one BiS6 octahedra, edges with two equivalent LiS6 octahedra, and edges with three equivalent LiS4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–57°. There are a spread of Li–S bond distances ranging from 2.41–2.49 Å. In the second Li1+ site, Li1+ is bonded to six equivalent S+1.83- atoms to form LiS6 octahedra that share corners with twelve equivalent LiS4 tetrahedra, edges with three equivalent LiS6 octahedra, edges with three equivalent BiS6 octahedra, and edges with six equivalent LiS4 tetrahedra. There are three shorter (2.64 Å) and three longer (3.04 Å) Li–S bond lengths. Bi3+ is bonded to six equivalent S+1.83- atoms to form BiS6 octahedra that share corners with twelve equivalent LiS4 tetrahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent LiS4 tetrahedra. All Bi–S bond lengths are 2.76 Å. S+1.83- is bonded in a 7-coordinate geometry to six Li1+ and one Bi3+ atom.
DOI: 10.17188/1290446
title: Materials Data on YAlO3 by Materials Project

description: YAlO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Y3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.26 Å) and six longer (2.65 Å) Y–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 24°. All Al–O bond lengths are 1.91 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Al3+ atoms.
DOI: 10.17188/1290447
title: Materials Data on EuSeO4 by Materials Project

description: EuSeO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent EuO6 octahedra. There are two shorter (2.44 Å) and four longer (2.53 Å) Eu–O bond lengths. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There is two shorter (1.68 Å) and two longer (1.72 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 Eu2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu2+ and one Se6+ atom.
DOI: 10.17188/1290448
title: Materials Data on TbGdO3 by Materials Project

description: TbGdO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of Tb–O bond distances ranging from 2.26–2.33 Å. Gd3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Gd–O bond distances ranging from 2.24–2.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Gd3+ atoms to form distorted corner-sharing OTb2Gd2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Gd3+ atom.
DOI: 10.17188/1290449
title: Materials Data on SrLaCl5 by Materials Project

description: SrLaCl5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 3.03–3.70 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 3.05–3.57 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.88–2.94 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.88–2.95 Å. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two La3+ atoms. In the second Cl1- site, Cl1- is bonded to three Sr2+ and one La3+ atom to form a mixture of distorted corner and edge-sharing ClSr3La tetrahedra. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent La3+ atoms. In the fourth Cl1- site, Cl1- is bonded to three Sr2+ and one La3+ atom to form a mixture of distorted corner and edge-sharing ClSr3La tetrahedra. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one Sr2+ and two La3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one Sr2+ and two La3+ atoms. In the seventh Cl1- site, Cl1- is bonded to three Sr2+ and one La3+ atom to form a mixture of distorted corner and edge-sharing ClSr3La tetrahedra. In the eighth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Sr2+ and two equivalent La3+ atoms. In the ninth Cl1- site, Cl1- is bonded to three Sr2+ and one La3+ atom to form a mixture of distorted corner and edge-sharing ClSr3La tetrahedra. In the tenth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one Sr2+ and two La3+ atoms.