cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1288723
title: Materials Data on Ba2SrI6 by Materials Project

description: Ba2SrI6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to six I1- atoms to form BaI6 octahedra that share corners with four equivalent SrI6 octahedra, corners with six equivalent BaI6 octahedra, and an edgeedge with one SrI6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Ba–I bond distances ranging from 3.49–3.52 Å. In the second Ba2+ site, Ba2+ is bonded to six I1- atoms to form BaI6 octahedra that share corners with two equivalent SrI6 octahedra, corners with six equivalent BaI6 octahedra, and edges with two equivalent SrI6 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Ba–I bond distances ranging from 3.48–3.50 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six I1- atoms to form SrI6 octahedra that share corners with six equivalent BaI6 octahedra and edges with three equivalent BaI6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. All Sr–I bond lengths are 3.31 Å. In the second Sr2+ site, Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share corners with six equivalent BaI6 octahedra and edges with three equivalent BaI6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Sr–I bond lengths are 3.31 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal planar geometry to two Ba2+ and one Sr2+ atom. In the second I1- site, I1- is bonded in a distorted trigonal planar geometry to two Ba2+ and one Sr2+ atom. In the third I1- site, I1- is bonded in a distorted trigonal planar geometry to two Ba2+ and one Sr2+ atom.
DOI: 10.17188/1288724
title: Materials Data on NaDyO2 by Materials Project

description: NaDyO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four DyO6 octahedra, edges with five NaO6 octahedra, and edges with seven DyO6 octahedra. The corner-sharing octahedra tilt angles range from 7–13°. There are a spread of Na–O bond distances ranging from 2.43–2.74 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four DyO6 octahedra, edges with five NaO6 octahedra, and edges with seven DyO6 octahedra. The corner-sharing octahedra tilt angles range from 1–14°. There are a spread of Na–O bond distances ranging from 2.41–2.73 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with two equivalent DyO6 octahedra, corners with four NaO6 octahedra, edges with five DyO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 7–14°. There are a spread of Dy–O bond distances ranging from 2.30–2.32 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with two equivalent DyO6 octahedra, corners with four NaO6 octahedra, edges with five DyO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 1–13°. All Dy–O bond lengths are 2.31 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and three Dy3+ atoms to form a mixture of edge and corner-sharing ONa3Dy3 octahedra. The corner-sharing octahedra tilt angles range from 3–12°. In the second O2- site, O2- is bonded to three Na1+ and three Dy3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Dy3 octahedra. The corner-sharing octahedra tilt angles range from 2–12°.
DOI: 10.17188/1288725
title: Materials Data on Dy2CuO4 by Materials Project

description: Dy2CuO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.22–2.43 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded to four equivalent Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra.
DOI: 10.17188/1288726
title: Materials Data on BaY3F11 by Materials Project

description: BaY3F11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.63–3.24 Å. There are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.24–2.75 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.25–2.39 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.25–2.48 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Ba2+ and two Y3+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Ba2+ and two Y3+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Ba2+ and two Y3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to three Y3+ atoms. In the fifth F1- site, F1- is bonded to two equivalent Ba2+ and two Y3+ atoms to form distorted edge-sharing FBa2Y2 tetrahedra. In the sixth F1- site, F1- is bonded in a 2-coordinate geometry to one Ba2+ and two Y3+ atoms. In the seventh F1- site, F1- is bonded in a distorted trigonal planar geometry to one Ba2+ and two Y3+ atoms. In the eighth F1- site, F1- is bonded in a 3-coordinate geometry to one Ba2+ and two Y3+ atoms. In the ninth F1- site, F1- is bonded in a 2-coordinate geometry to one Ba2+ and three Y3+ atoms. In the tenth F1- site, F1- is bonded in a 3-coordinate geometry to one Ba2+ and two Y3+ atoms. In the eleventh F1- site, F1- is bonded in a 2-coordinate geometry to one Ba2+ and two Y3+ atoms.
DOI: 10.17188/1288727
title: Materials Data on BaYF5 by Materials Project

description: BaYF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Ba–F bond distances ranging from 2.72–3.13 Å. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.27–2.35 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Ba2+ and two equivalent Y3+ atoms. In the second F1- site, F1- is bonded to three equivalent Ba2+ and one Y3+ atom to form a mixture of distorted edge and corner-sharing FBa3Y tetrahedra. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Ba2+ and two equivalent Y3+ atoms.
DOI: 10.17188/1288728
title: Materials Data on TiBi2O5 by Materials Project

description: Bi2TiO5 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ti4+ is bonded to four O2- atoms to form corner-sharing TiO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.81–1.88 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.69 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.66 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ti4+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ti4+ and two equivalent Bi3+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ti4+ atoms.
DOI: 10.17188/1288729
title: Materials Data on Ba2YBr7 by Materials Project

description: Ba2YBr7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Ba–Br bond distances ranging from 3.25–3.56 Å. Y3+ is bonded in a distorted pentagonal bipyramidal geometry to seven Br1- atoms. There are a spread of Y–Br bond distances ranging from 2.88–3.01 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to three equivalent Ba2+ and one Y3+ atom. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to two equivalent Ba2+ and one Y3+ atom. In the third Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba2+ and one Y3+ atom. In the fourth Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Y3+ atom.
DOI: 10.17188/1288730
title: Materials Data on AgAuO3 by Materials Project

description: AuAgO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Au5+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.09 Å) and two longer (2.26 Å) Au–O bond lengths. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.29 Å) and two longer (2.73 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded to six O2- atoms to form edge-sharing AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.16–2.63 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Au5+ and one O2- atom. The O–O bond length is 1.36 Å. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag1+ and one O2- atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Au5+ and three Ag1+ atoms.
DOI: 10.17188/1288762
title: Materials Data on CaGd2O4 by Materials Project

description: CaGd2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent O2- atoms to form CaO4 tetrahedra that share corners with twelve equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 57–60°. All Ca–O bond lengths are 2.32 Å. Gd3+ is bonded to six equivalent O2- atoms to form GdO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent GdO6 octahedra. There are two shorter (2.33 Å) and four longer (2.34 Å) Gd–O bond lengths. O2- is bonded to one Ca2+ and three equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing OCaGd3 trigonal pyramids.
DOI: 10.17188/1288763
title: Materials Data on Ba2Sr7I18 by Materials Project

description: Ba2Sr7I18 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Ba–I bond distances ranging from 3.49–4.12 Å. There are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedra tilt angles range from 51–65°. There are a spread of Sr–I bond distances ranging from 3.23–3.48 Å. In the second Sr2+ site, Sr2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedra tilt angles range from 62–66°. There are four shorter (3.29 Å) and two longer (3.39 Å) Sr–I bond lengths. In the third Sr2+ site, Sr2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedra tilt angles range from 51–64°. There are a spread of Sr–I bond distances ranging from 3.25–3.44 Å. In the fourth Sr2+ site, Sr2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedra tilt angles range from 53–66°. There are a spread of Sr–I bond distances ranging from 3.22–3.42 Å. There are nine inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to one Ba2+ and two Sr2+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two Sr2+ atoms. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two Sr2+ atoms. In the fourth I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three Sr2+ atoms. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to three Sr2+ atoms. In the sixth I1- site, I1- is bonded in a 3-coordinate geometry to one Ba2+ and two Sr2+ atoms. In the seventh I1- site, I1- is bonded in an L-shaped geometry to two Sr2+ atoms. In the eighth I1- site, I1- is bonded in a 3-coordinate geometry to one Ba2+ and three Sr2+ atoms. In the ninth I1- site, I1- is bonded to two equivalent Ba2+ and two Sr2+ atoms to form a mixture of distorted corner and edge-sharing IBa2Sr2 trigonal pyramids.
DOI: 10.17188/1288764
title: Materials Data on BaTm2O4 by Materials Project

description: BaTm2O4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmcm 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 2.62–3.11 Å. Tm3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of Tm–O bond distances ranging from 2.19–2.42 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and four equivalent Tm3+ atoms to form distorted OBa2Tm4 octahedra that share corners with two equivalent OBa2Tm4 octahedra, edges with two equivalent OBa2Tm4 octahedra, and edges with four equivalent OBa2Tm2 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second O2- site, O2- is bonded to two equivalent Ba2+ and two equivalent Tm3+ atoms to form distorted OBa2Tm2 tetrahedra that share corners with two equivalent OBa2Tm2 tetrahedra and edges with four equivalent OBa2Tm4 octahedra. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three equivalent Tm3+ atoms.
DOI: 10.17188/1288767
title: Materials Data on ZrBiO4 by Materials Project

description: ZrBiO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Zr3+ sites. In the first Zr3+ site, Zr3+ is bonded to six O2- atoms to form distorted ZrO6 octahedra that share corners with four equivalent ZrO6 octahedra and edges with two equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–56°. There are a spread of Zr–O bond distances ranging from 2.04–2.26 Å. In the second Zr3+ site, Zr3+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with four equivalent ZrO6 octahedra and corners with four equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–56°. There are a spread of Zr–O bond distances ranging from 2.08–2.16 Å. There are two inequivalent Bi5+ sites. In the first Bi5+ site, Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent ZrO6 octahedra and edges with two equivalent ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 43–56°. There are a spread of Bi–O bond distances ranging from 2.12–2.24 Å. In the second Bi5+ site, Bi5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.34–2.47 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Zr3+ and two Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Zr3+ and two Bi5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Zr3+ and two Bi5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zr3+ and one Bi5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zr3+ and two Bi5+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Zr3+ and one Bi5+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zr3+ and one Bi5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Zr3+ and one Bi5+ atom.
DOI: 10.17188/1288771
title: Materials Data on Sm3TaO7 by Materials Project

description: Sm3TaO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two equivalent TaO6 octahedra, a cornercorner with one SmO7 pentagonal bipyramid, edges with two equivalent TaO6 octahedra, and edges with three equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–48°. There are a spread of Sm–O bond distances ranging from 2.28–2.57 Å. In the second Sm3+ site, Sm3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.94 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent SmO7 pentagonal bipyramids, and edges with four equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of Ta–O bond distances ranging from 1.97–2.04 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sm3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the fifth O2- site, O2- is bonded to three Sm3+ and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OSm3Ta tetrahedra.
DOI: 10.17188/1288773
title: Materials Data on Ba2Na2O3 by Materials Project

description: Na2Ba2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.37 Å. Ba2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ba–O bond distances ranging from 2.62–2.77 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Ba2+ atoms to form corner-sharing OBa2Na4 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+ and three equivalent Ba2+ atoms.
DOI: 10.17188/1288774
title: Materials Data on Sr3Hf2O7 by Materials Project

description: Sr3Hf2O7 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–3.12 Å. In the second Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.65 Å) and four longer (2.89 Å) Sr–O bond lengths. Hf4+ is bonded to six O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedra tilt angles range from 0–22°. There are a spread of Hf–O bond distances ranging from 2.08–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Sr2+ and one Hf4+ atom to form a mixture of distorted edge and corner-sharing OSr5Hf octahedra. The corner-sharing octahedral tilt angles are 7°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and two equivalent Hf4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Hf4+ atoms.
DOI: 10.17188/1288775
title: Materials Data on K2SnO2 by Materials Project

description: K2SnO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to five O2- atoms to form distorted edge-sharing KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.67–2.95 Å. In the second K1+ site, K1+ is bonded to five O2- atoms to form distorted edge-sharing KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.72–2.84 Å. In the third K1+ site, K1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.86 Å. In the fourth K1+ site, K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.72 Å) and one longer (2.77 Å) K–O bond lengths. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.02–2.18 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.04–2.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to five K1+ and one Sn2+ atom to form distorted OK5Sn octahedra that share corners with three equivalent OK5Sn octahedra, a cornercorner with one OK3Sn2 trigonal bipyramid, edges with seven OK5Sn octahedra, and an edgeedge with one OK3Sn2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 14–18°. In the second O2- site, O2- is bonded to four K1+ and two equivalent Sn2+ atoms to form distorted OK4Sn2 octahedra that share corners with three equivalent OK3Sn2 trigonal bipyramids and edges with eight OK5Sn octahedra. In the third O2- site, O2- is bonded to three K1+ and two equivalent Sn2+ atoms to form distorted OK3Sn2 trigonal bipyramids that share corners with four OK5Sn octahedra, edges with four OK5Sn octahedra, and an edgeedge with one OK3Sn2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 29–78°. In the fourth O2- site, O2- is bonded to five K1+ and one Sn2+ atom to form distorted OK5Sn octahedra that share corners with three equivalent OK5Sn octahedra, edges with four OK5Sn octahedra, and edges with three equivalent OK3Sn2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 14–18°.