cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1282500
title: Materials Data on K2SrCl4 by Materials Project

description: K2SrCl4 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.06–3.63 Å. In the second K1+ site, K1+ is bonded to eight Cl1- atoms to form distorted face-sharing KCl8 hexagonal bipyramids. There are a spread of K–Cl bond distances ranging from 3.11–3.52 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.11–3.43 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.12–3.74 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.86–3.47 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.92–3.58 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four K1+ and two Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four K1+ and two Sr2+ atoms. In the third Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four K1+ and two Sr2+ atoms. In the fourth Cl1- site, Cl1- is bonded to five K1+ and one Sr2+ atom to form distorted edge-sharing ClK5Sr octahedra. In the fifth Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four K1+ and two Sr2+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Sr2+ atom. In the seventh Cl1- site, Cl1- is bonded in a 6-coordinate geometry to three K1+ and three Sr2+ atoms. In the eighth Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four K1+ and two equivalent Sr2+ atoms.
DOI: 10.17188/1282501
title: Materials Data on MgZr4O9 by Materials Project

description: MgZr4O9 is Baddeleyite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form distorted edge-sharing MgO6 octahedra. There are two shorter (2.02 Å) and four longer (2.19 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.90 Å) and two longer (2.15 Å) Mg–O bond lengths. There are four inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Zr–O bond distances ranging from 2.05–2.36 Å. In the second Zr4+ site, Zr4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Zr–O bond distances ranging from 2.11–2.29 Å. In the third Zr4+ site, Zr4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Zr–O bond distances ranging from 2.08–2.34 Å. In the fourth Zr4+ site, Zr4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Zr–O bond distances ranging from 2.08–2.34 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+ and three Zr4+ atoms to form distorted OMgZr3 tetrahedra that share corners with six OMgZr3 tetrahedra, corners with four equivalent OMgZr3 trigonal pyramids, and edges with four OZr4 tetrahedra. In the second O2- site, O2- is bonded to three Mg2+ and one Zr4+ atom to form a mixture of edge and corner-sharing OMg3Zr tetrahedra. In the third O2- site, O2- is bonded to one Mg2+ and three Zr4+ atoms to form distorted OMgZr3 trigonal pyramids that share corners with ten OMgZr3 tetrahedra, corners with three equivalent OMgZr3 trigonal pyramids, and edges with two OZr4 tetrahedra. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Zr4+ atoms. In the fifth O2- site, O2- is bonded to four Zr4+ atoms to form a mixture of distorted edge and corner-sharing OZr4 tetrahedra. In the sixth O2- site, O2- is bonded to four Zr4+ atoms to form distorted OZr4 tetrahedra that share corners with four OMg3Zr tetrahedra, corners with three equivalent OMgZr3 trigonal pyramids, edges with four OMgZr3 tetrahedra, and an edgeedge with one OMgZr3 trigonal pyramid. In the seventh O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Zr4+ atoms. In the eighth O2- site, O2- is bonded to four Zr4+ atoms to form distorted OZr4 tetrahedra that share corners with four OMgZr3 tetrahedra, corners with two equivalent OMgZr3 trigonal pyramids, and edges with four OZr4 tetrahedra. In the ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Zr4+ atoms.
DOI: 10.17188/1282502
title: Materials Data on BaCO3 by Materials Project

description: BaCO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ba–O bond lengths are 2.73 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one C4+ atom.
DOI: 10.17188/1282503
title: Materials Data on YbCe9O20 by Materials Project

description: YbCe9O20 is Fluorite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight O atoms. All Yb–O bond lengths are 2.41 Å. There are five inequivalent Ce sites. In the first Ce site, Ce is bonded in a body-centered cubic geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.33–2.38 Å. In the second Ce site, Ce is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (2.35 Å) and four longer (2.37 Å) Ce–O bond lengths. In the third Ce site, Ce is bonded in a body-centered cubic geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.39 Å. In the fourth Ce site, Ce is bonded in a body-centered cubic geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.33–2.38 Å. In the fifth Ce site, Ce is bonded in a body-centered cubic geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.32–2.38 Å. There are ten inequivalent O sites. In the first O site, O is bonded to four Ce atoms to form OCe4 tetrahedra that share corners with sixteen OYbCe3 tetrahedra and edges with six OCe4 tetrahedra. In the second O site, O is bonded to one Yb and three Ce atoms to form OYbCe3 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OYbCe3 tetrahedra. In the third O site, O is bonded to four Ce atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fourth O site, O is bonded to one Yb and three Ce atoms to form OYbCe3 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OYbCe3 tetrahedra. In the fifth O site, O is bonded to four Ce atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the sixth O site, O is bonded to four Ce atoms to form OCe4 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OYbCe3 tetrahedra. In the seventh O site, O is bonded to four Ce atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the eighth O site, O is bonded to one Yb and three Ce atoms to form OYbCe3 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OYbCe3 tetrahedra. In the ninth O site, O is bonded to one Yb and three Ce atoms to form a mixture of edge and corner-sharing OYbCe3 tetrahedra. In the tenth O site, O is bonded to four Ce atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
DOI: 10.17188/1282504
title: Materials Data on Na2U2O7 by Materials Project

description: Na2U2O7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to eight O2- atoms to form distorted NaO8 hexagonal bipyramids that share edges with two equivalent NaO8 hexagonal bipyramids, edges with two equivalent UO6 octahedra, edges with four equivalent NaO7 pentagonal bipyramids, and edges with four equivalent UO7 pentagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.55–2.88 Å. In the second Na1+ site, Na1+ is bonded to seven O2- atoms to form distorted NaO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, a cornercorner with one UO7 pentagonal bipyramid, edges with four equivalent NaO8 hexagonal bipyramids, edges with two equivalent UO6 octahedra, an edgeedge with one UO7 pentagonal bipyramid, and edges with two equivalent NaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 52°. There are a spread of Na–O bond distances ranging from 2.41–2.72 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, a cornercorner with one NaO7 pentagonal bipyramid, edges with four equivalent NaO8 hexagonal bipyramids, edges with two equivalent UO6 octahedra, an edgeedge with one NaO7 pentagonal bipyramid, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. There are a spread of U–O bond distances ranging from 1.86–2.57 Å. In the second U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra, corners with two equivalent NaO7 pentagonal bipyramids, corners with two equivalent UO7 pentagonal bipyramids, edges with two equivalent NaO8 hexagonal bipyramids, edges with two equivalent NaO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 51°. There are a spread of U–O bond distances ranging from 1.89–2.21 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one U6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+ and three U6+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one U6+ atom. In the fourth O2- site, O2- is bonded to one Na1+ and three U6+ atoms to form distorted ONaU3 trigonal pyramids that share corners with two equivalent ONaU3 trigonal pyramids and an edgeedge with one ONa3U tetrahedra. In the fifth O2- site, O2- is bonded to three Na1+ and one U6+ atom to form distorted ONa3U tetrahedra that share corners with two equivalent ONa3U tetrahedra and an edgeedge with one ONaU3 trigonal pyramid.
DOI: 10.17188/1282505
title: Materials Data on In2NiS4 by Materials Project

description: NiIn2S4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ni2+ is bonded to six S2- atoms to form NiS6 octahedra that share corners with six equivalent InS4 tetrahedra, edges with two equivalent NiS6 octahedra, and edges with four equivalent InS6 octahedra. There are two shorter (2.37 Å) and four longer (2.42 Å) Ni–S bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with six equivalent NiS6 octahedra and corners with six equivalent InS6 octahedra. The corner-sharing octahedra tilt angles range from 50–69°. There are two shorter (2.54 Å) and two longer (2.55 Å) In–S bond lengths. In the second In3+ site, In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with six equivalent InS4 tetrahedra, edges with two equivalent InS6 octahedra, and edges with four equivalent NiS6 octahedra. There are four shorter (2.62 Å) and two longer (2.63 Å) In–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ni2+ and two In3+ atoms to form a mixture of distorted corner and edge-sharing SIn2Ni2 trigonal pyramids. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Ni2+ and three In3+ atoms.
DOI: 10.17188/1282507
title: Materials Data on Hg2SbF6 by Materials Project

description: Hg2SbF6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Hg+1.50+ sites. In the first Hg+1.50+ site, Hg+1.50+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are two shorter (2.89 Å) and two longer (2.95 Å) Hg–F bond lengths. In the second Hg+1.50+ site, Hg+1.50+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (2.86 Å) and two longer (2.94 Å) Hg–F bond lengths. Sb3+ is bonded in an octahedral geometry to six F1- atoms. All Sb–F bond lengths are 1.92 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg+1.50+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two Hg+1.50+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg+1.50+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg+1.50+ and one Sb3+ atom. Both F–Hg bond lengths are 2.94 Å. The F–Sb bond length is 1.92 Å. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg+1.50+ and one Sb3+ atom. Both F–Hg bond lengths are 2.89 Å. The F–Sb bond length is 1.92 Å.
DOI: 10.17188/1282509
title: Materials Data on RbPbF3 by Materials Project

description: RbPbF3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.06 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.83–3.02 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedra tilt angles range from 29–35°. There are a spread of Pb–F bond distances ranging from 2.38–2.62 Å. In the second Pb2+ site, Pb2+ is bonded to six F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedra tilt angles range from 29–35°. There are a spread of Pb–F bond distances ranging from 2.38–2.58 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the second F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the third F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the fourth F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the fifth F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the sixth F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra.
DOI: 10.17188/1282512
title: Materials Data on In5CuS8 by Materials Project

description: CuIn5S8 is Spinel-like structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Cu–S bond lengths are 2.33 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with three equivalent CuS4 tetrahedra, corners with three equivalent InS4 tetrahedra, and edges with six equivalent InS6 octahedra. There are three shorter (2.58 Å) and three longer (2.64 Å) In–S bond lengths. In the second In3+ site, In3+ is bonded to four equivalent S2- atoms to form corner-sharing InS4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. All In–S bond lengths are 2.48 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing SIn4 tetrahedra. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Cu1+ and three equivalent In3+ atoms.
DOI: 10.17188/1282517
title: Materials Data on Li5GeP3 by Materials Project

description: Li5GeP3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.53–2.59 Å. In the second Li1+ site, Li1+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.52–2.74 Å. In the third Li1+ site, Li1+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.55–2.62 Å. In the fourth Li1+ site, Li1+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.53–2.71 Å. In the fifth Li1+ site, Li1+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.54–2.61 Å. Ge4+ is bonded in a trigonal planar geometry to three P3- atoms. All Ge–P bond lengths are 2.29 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to seven Li1+ and one Ge4+ atom. In the second P3- site, P3- is bonded in a body-centered cubic geometry to seven Li1+ and one Ge4+ atom. In the third P3- site, P3- is bonded in a 7-coordinate geometry to six Li1+ and one Ge4+ atom.
DOI: 10.17188/1282518
title: Materials Data on Ba2Bi6O11 by Materials Project

description: Ba2Bi6O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.43–3.35 Å. There are three inequivalent Bi3+ sites. In the first 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 2.22–3.04 Å. In the second 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 2.21–2.83 Å. In the third 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 2.14–2.65 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the fifth O2- site, O2- is bonded to one Ba2+ and three equivalent Bi3+ atoms to form distorted corner-sharing OBaBi3 tetrahedra. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ba2+ and one Bi3+ atom.
DOI: 10.17188/1282519
title: Materials Data on Bi2O3 by Materials Project

description: Bi2O3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight 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 2.21–2.85 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 2.21–2.88 Å. In the third 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 2.15–2.88 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 2.19–3.08 Å. In the fifth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.45 Å. In the sixth Bi3+ site, Bi3+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.39 Å. In the seventh Bi3+ site, Bi3+ is bonded in a distorted pentagonal pyramidal geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.59 Å. In the eighth 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 2.14–2.83 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted tetrahedral geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to four Bi3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Bi3+ and one O2- atom. The O–O bond length is 1.48 Å. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Bi3+ and one O2- atom. In the sixth O2- site, O2- is bonded in a distorted T-shaped geometry to three Bi3+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to three Bi3+ atoms. In the ninth O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to four Bi3+ atoms.