cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1288880
title: Materials Data on CeZr7O16 by Materials Project

description: CeZr7O16 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.20–2.46 Å. There are five inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.10–2.46 Å. In the second Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.09–2.45 Å. In the third Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.08–2.52 Å. In the fourth Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.10–2.47 Å. In the fifth Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.10–2.45 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ce4+ and three Zr4+ atoms to form a mixture of distorted corner and edge-sharing OCeZr3 tetrahedra. In the second O2- site, O2- is bonded to one Ce4+ and three Zr4+ atoms to form distorted OCeZr3 tetrahedra that share corners with twelve OZr4 tetrahedra and edges with five OCeZr3 tetrahedra. In the third O2- site, O2- is bonded to four Zr4+ atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the fourth O2- site, O2- is bonded to one Ce4+ and three Zr4+ atoms to form a mixture of distorted corner and edge-sharing OCeZr3 tetrahedra. In the fifth O2- site, O2- is bonded to one Ce4+ and three Zr4+ atoms to form a mixture of distorted corner and edge-sharing OCeZr3 tetrahedra. In the sixth O2- site, O2- is bonded to four Zr4+ atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to four Zr4+ atoms. In the eighth O2- site, O2- is bonded to four Zr4+ atoms to form distorted OZr4 tetrahedra that share corners with fourteen OCeZr3 tetrahedra and edges with four OZr4 tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to four Zr4+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to four Zr4+ atoms. In the eleventh O2- site, O2- is bonded to one Ce4+ and three Zr4+ atoms to form a mixture of distorted corner and edge-sharing OCeZr3 tetrahedra. In the twelfth O2- site, O2- is bonded to one Ce4+ and three Zr4+ atoms to form distorted OCeZr3 tetrahedra that share corners with thirteen OCeZr3 tetrahedra and edges with five OZr4 tetrahedra.
DOI: 10.17188/1288881
title: Materials Data on Ti8O13 by Materials Project

description: Ti8O13 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ti+3.25+ sites. In the first Ti+3.25+ site, Ti+3.25+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are a spread of Ti–O bond distances ranging from 1.96–2.11 Å. In the second Ti+3.25+ site, Ti+3.25+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are three shorter (1.88 Å) and three longer (2.14 Å) Ti–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an octahedral geometry to six equivalent Ti+3.25+ atoms. In the second O2- site, O2- is bonded in a T-shaped geometry to three Ti+3.25+ atoms. In the third O2- site, O2- is bonded in a see-saw-like geometry to four Ti+3.25+ atoms.
DOI: 10.17188/1288882
title: Materials Data on U3O5 by Materials Project

description: U3O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent U+3.33+ sites. In the first U+3.33+ site, U+3.33+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.24–2.28 Å. In the second U+3.33+ site, U+3.33+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.29–2.43 Å. In the third U+3.33+ site, U+3.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.35–2.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the second O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra.
DOI: 10.17188/1288883
title: Materials Data on ZnSb by Materials Project

description: ZnSb is SC16 CuCl, stable at 5GPa structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Sb2- atoms to form a mixture of distorted corner and edge-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.69–2.91 Å. Sb2- is bonded in a 5-coordinate geometry to four equivalent Zn2+ and one Sb2- atom. The Sb–Sb bond length is 2.84 Å.
DOI: 10.17188/1288884
title: Materials Data on NaSb3O8 by Materials Project

description: NaSb3O8 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with eight SbO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–58°. There are a spread of Na–O bond distances ranging from 2.21–2.29 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent NaO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are four shorter (1.98 Å) and two longer (2.14 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with six SbO6 octahedra, an edgeedge with one NaO6 octahedra, and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–58°. There are a spread of Sb–O bond distances ranging from 1.97–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Na1+ and two Sb5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent Sb5+ atoms.
DOI: 10.17188/1288885
title: Materials Data on Li2AgF3 by Materials Project

description: Li2AgF3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form a mixture of distorted edge, face, and corner-sharing LiF6 pentagonal pyramids. There are a spread of Li–F bond distances ranging from 2.03–2.21 Å. Ag1+ is bonded in a 3-coordinate geometry to three F1- atoms. There are a spread of Ag–F bond distances ranging from 2.18–2.46 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent Li1+ and one Ag1+ atom. In the second F1- site, F1- is bonded to four equivalent Li1+ and one Ag1+ atom to form distorted corner-sharing FLi4Ag square pyramids. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one Ag1+ atom.
DOI: 10.17188/1288887
title: Materials Data on NaGa5O8 by Materials Project

description: NaGa5O8 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share corners with twelve GaO6 octahedra. The corner-sharing octahedra tilt angles range from 54–66°. There are one shorter (2.06 Å) and three longer (2.14 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are three shorter (2.41 Å) and one longer (2.46 Å) Na–O bond lengths. There are six inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share a cornercorner with one NaO4 tetrahedra, corners with two equivalent GaO4 tetrahedra, and edges with five GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.93–2.17 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with three equivalent NaO4 tetrahedra, corners with three equivalent GaO4 tetrahedra, and edges with six GaO6 octahedra. There are three shorter (1.99 Å) and three longer (2.13 Å) Ga–O bond lengths. In the third Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–61°. There is one shorter (1.86 Å) and three longer (1.96 Å) Ga–O bond length. In the fourth Ga3+ site, Ga3+ is bonded in a distorted trigonal planar geometry to three equivalent O2- atoms. All Ga–O bond lengths are 1.83 Å. In the fifth Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Ga–O bond lengths are 1.78 Å. In the sixth Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share a cornercorner with one GaO4 tetrahedra, corners with two equivalent NaO4 tetrahedra, and edges with five GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.96–2.14 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+ and three equivalent Ga3+ atoms to form corner-sharing ONaGa3 tetrahedra. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Ga3+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Ga3+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+ and three Ga3+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the sixth O2- site, O2- is bonded to one Na1+ and three Ga3+ atoms to form a mixture of distorted edge and corner-sharing ONaGa3 tetrahedra. In the seventh O2- site, O2- is bonded to one Na1+ and three equivalent Ga3+ atoms to form corner-sharing ONaGa3 tetrahedra. In the eighth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Ga3+ atoms.
DOI: 10.17188/1288888
title: Materials Data on LiCu5F12 by Materials Project

description: LiCu5F12 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with eight equivalent CuF6 octahedra and edges with two equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are four shorter (2.04 Å) and two longer (2.09 Å) Li–F bond lengths. There are three inequivalent Cu+2.20+ sites. In the first Cu+2.20+ site, Cu+2.20+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with eight CuF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one CuF6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are a spread of Cu–F bond distances ranging from 1.94–2.08 Å. In the second Cu+2.20+ site, Cu+2.20+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent CuF6 octahedra, and edges with two CuF6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of Cu–F bond distances ranging from 1.96–2.01 Å. In the third Cu+2.20+ site, Cu+2.20+ is bonded to six F1- atoms to form a mixture of corner and edge-sharing CuF6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are four shorter (2.00 Å) and two longer (2.05 Å) Cu–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three Cu+2.20+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Cu+2.20+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to three Cu+2.20+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Cu+2.20+ atoms.
DOI: 10.17188/1288890
title: Materials Data on KI(OF)2 by Materials Project

description: KI(OF)2 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to two equivalent O2- and four F1- atoms. There are one shorter (2.87 Å) and one longer (2.92 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.77–3.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one I5+ atom. The O–I bond length is 1.81 Å. I5+ is bonded in a 4-coordinate geometry to two O2- and two F1- atoms. There are one shorter (2.02 Å) and one longer (2.08 Å) I–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one I5+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one I5+ atom.
DOI: 10.17188/1288891
title: Materials Data on TbBi5O9 by Materials Project

description: TbBi5O9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Tb3+ is bonded to seven O2- atoms to form distorted TbO7 hexagonal pyramids that share corners with two equivalent BiO5 trigonal bipyramids, edges with two equivalent TbO7 hexagonal pyramids, and an edgeedge with one BiO4 trigonal pyramid. There are a spread of Tb–O bond distances ranging from 2.36–2.42 Å. There are five inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.45 Å. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.28–2.74 Å. In the third Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–3.09 Å. In the fourth Bi3+ site, Bi3+ is bonded to four O2- atoms to form distorted BiO4 trigonal pyramids that share corners with two equivalent BiO4 trigonal pyramids and an edgeedge with one TbO7 hexagonal pyramid. There are a spread of Bi–O bond distances ranging from 2.15–2.33 Å. In the fifth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 trigonal bipyramids that share corners with two equivalent TbO7 hexagonal pyramids and corners with two equivalent BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.17–2.61 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to four Bi3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Tb3+ and two Bi3+ atoms to form OTb2Bi2 tetrahedra that share corners with seven OTb2Bi2 tetrahedra and edges with four OTbBi3 tetrahedra. In the fifth O2- site, O2- is bonded to one Tb3+ and three Bi3+ atoms to form distorted OTbBi3 tetrahedra that share corners with six OTbBi3 tetrahedra and edges with five OTb2Bi2 tetrahedra. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Tb3+ and one Bi3+ atom. In the seventh O2- site, O2- is bonded to four Bi3+ atoms to form OBi4 tetrahedra that share corners with five OTb2Bi2 tetrahedra and edges with two equivalent OTbBi3 tetrahedra. In the eighth O2- site, O2- is bonded to one Tb3+ and three Bi3+ atoms to form distorted OTbBi3 tetrahedra that share corners with three OTbBi3 tetrahedra and edges with three OTb2Bi2 tetrahedra. In the ninth O2- site, O2- is bonded to one Tb3+ and three Bi3+ atoms to form OTbBi3 tetrahedra that share corners with eleven OTb2Bi2 tetrahedra and edges with two OTbBi3 tetrahedra.
DOI: 10.17188/1288892
title: Materials Data on HoBO3 by Materials Project

description: HoBO3 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.23–2.68 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.40 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ho3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ho3+ and one B3+ atom.
DOI: 10.17188/1288893
title: Materials Data on TiOF by Materials Project

description: TiOF crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one TiOF sheet oriented in the (0, 0, 1) direction. Ti3+ is bonded to four equivalent O2- and two equivalent F1- atoms to form a mixture of edge and corner-sharing TiO4F2 octahedra. The corner-sharing octahedral tilt angles are 4°. There are two shorter (2.02 Å) and two longer (2.07 Å) Ti–O bond lengths. Both Ti–F bond lengths are 2.01 Å. O2- is bonded in a rectangular see-saw-like geometry to four equivalent Ti3+ atoms. F1- is bonded in a water-like geometry to two equivalent Ti3+ atoms.
DOI: 10.17188/1288894
title: Materials Data on Li3CuF6 by Materials Project

description: Li3CuF6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form distorted LiF6 pentagonal pyramids that share corners with two CuF6 octahedra, corners with four equivalent LiF6 pentagonal pyramids, edges with two CuF6 octahedra, and edges with four equivalent LiF6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Li–F bond distances ranging from 1.97–2.21 Å. There are two inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent LiF6 pentagonal pyramids and edges with six equivalent LiF6 pentagonal pyramids. All Cu–F bond lengths are 1.92 Å. In the second Cu3+ site, Cu3+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent LiF6 pentagonal pyramids and edges with six equivalent LiF6 pentagonal pyramids. All Cu–F bond lengths are 1.92 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and one Cu3+ atom to form a mixture of distorted edge and corner-sharing FLi3Cu trigonal pyramids. In the second F1- site, F1- is bonded in a distorted see-saw-like geometry to three equivalent Li1+ and one Cu3+ atom.
DOI: 10.17188/1288895
title: Materials Data on LaBi5O9 by Materials Project

description: LaBi5O9 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.79 Å. There are five inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.96 Å. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.18–2.51 Å. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.97 Å. In the fourth 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 2.24–2.58 Å. In the fifth Bi3+ site, Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.29–2.85 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form distorted OLaBi3 tetrahedra that share corners with six OLaBi3 tetrahedra and edges with three OLa2Bi2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent La3+ and two Bi3+ atoms to form distorted OLa2Bi2 tetrahedra that share corners with eleven OLaBi3 tetrahedra, edges with five OLaBi3 tetrahedra, and an edgeedge with one OBi4 trigonal pyramid. In the third O2- site, O2- is bonded to four Bi3+ atoms to form distorted OBi4 trigonal pyramids that share corners with seven OLaBi3 tetrahedra, corners with two equivalent OBi4 trigonal pyramids, and edges with three OLaBi3 tetrahedra. In the fourth O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form distorted OLaBi3 tetrahedra that share corners with ten OLaBi3 tetrahedra, corners with two equivalent OBi4 trigonal pyramids, and edges with four OLaBi3 tetrahedra. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to six Bi3+ atoms. In the sixth O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form distorted OLaBi3 tetrahedra that share corners with six OLaBi3 tetrahedra, corners with four equivalent OBi4 trigonal pyramids, and edges with three OLaBi3 tetrahedra. In the seventh O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form OLaBi3 tetrahedra that share corners with ten OLaBi3 tetrahedra, edges with four OLaBi3 tetrahedra, and edges with two equivalent OBi4 trigonal pyramids. In the eighth O2- site, O2- is bonded to two equivalent La3+ and two Bi3+ atoms to form OLa2Bi2 tetrahedra that share corners with eleven OLa2Bi2 tetrahedra, a cornercorner with one OBi4 trigonal pyramid, and edges with five OLaBi3 tetrahedra. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to four Bi3+ atoms.