cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1701135
title: Materials Data on Mn7SiO12 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1701137
title: Materials Data on HgH2SO5 by Materials Project

description: HgH2SO5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Hg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.20–2.59 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Hg2+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Hg2+ and two H1+ atoms.
DOI: 10.17188/1701138
title: Materials Data on ReN2 by Materials Project

description: ReN2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Re6+ is bonded to six equivalent N3- atoms to form corner-sharing ReN6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Re–N bond lengths are 2.04 Å. N3- is bonded in a trigonal planar geometry to three equivalent Re6+ atoms.
DOI: 10.17188/1701139
title: Materials Data on Mn5Si2Ge by Materials Project

description: Mn5GeSi2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to two equivalent Ge and four Si atoms. There are one shorter (2.48 Å) and one longer (2.49 Å) Mn–Ge bond lengths. There are a spread of Mn–Si bond distances ranging from 2.43–2.47 Å. In the second Mn site, Mn is bonded in a 5-coordinate geometry to two equivalent Ge and three Si atoms. There are one shorter (2.45 Å) and one longer (2.52 Å) Mn–Ge bond lengths. There are one shorter (2.38 Å) and two longer (2.65 Å) Mn–Si bond lengths. In the third Mn site, Mn is bonded in a 5-coordinate geometry to two equivalent Ge and three Si atoms. Both Mn–Ge bond lengths are 2.42 Å. There are one shorter (2.44 Å) and two longer (2.63 Å) Mn–Si bond lengths. In the fourth Mn site, Mn is bonded in a 5-coordinate geometry to two equivalent Ge and three Si atoms. Both Mn–Ge bond lengths are 2.64 Å. There are two shorter (2.41 Å) and one longer (2.52 Å) Mn–Si bond lengths. In the fifth Mn site, Mn is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mn–Si bond distances ranging from 2.41–2.64 Å. Ge is bonded in a 9-coordinate geometry to nine Mn atoms. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms.
DOI: 10.17188/1701140
title: Materials Data on NdAgPb by Materials Project

description: NdAgPb crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to six equivalent Ag and six equivalent Pb atoms. There are a spread of Nd–Ag bond distances ranging from 3.28–3.42 Å. There are a spread of Nd–Pb bond distances ranging from 3.32–4.07 Å. Ag is bonded in a 10-coordinate geometry to six equivalent Nd, three equivalent Ag, and one Pb atom. There are one shorter (2.86 Å) and two longer (2.88 Å) Ag–Ag bond lengths. The Ag–Pb bond length is 3.38 Å. Pb is bonded in a 10-coordinate geometry to six equivalent Nd, one Ag, and three equivalent Pb atoms. There are two shorter (3.07 Å) and one longer (3.14 Å) Pb–Pb bond lengths.
DOI: 10.17188/1701141
title: Materials Data on MoN2Cl5O by Materials Project

description: MoOCl5N2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules and four nsc209800 molecules.
DOI: 10.17188/1701142
title: Materials Data on RbFeO2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1701143
title: Materials Data on YNiSO7 by Materials Project

description: YNiSO7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.31–2.47 Å. Ni is bonded to six O atoms to form NiO6 octahedra that share corners with two equivalent SO4 tetrahedra and edges with two equivalent NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.83–2.24 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Y and one Ni atom. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Y and one Ni atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Y and one S atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Y and one S atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent Ni and one S atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Y and one S atom. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to one Y and two equivalent Ni atoms.
DOI: 10.17188/1701144
title: Materials Data on Mg4Te3Se by Materials Project

description: Mg4Te3Se is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form corner-sharing MgTe2Se2 tetrahedra. Both Mg–Te bond lengths are 2.81 Å. Both Mg–Se bond lengths are 2.66 Å. In the second Mg2+ site, Mg2+ is bonded to four Te2- atoms to form corner-sharing MgTe4 tetrahedra. There are two shorter (2.79 Å) and two longer (2.80 Å) Mg–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Mg2+ atoms to form TeMg4 tetrahedra that share corners with four equivalent SeMg4 tetrahedra and corners with eight TeMg4 tetrahedra. In the second Te2- site, Te2- is bonded to four equivalent Mg2+ atoms to form corner-sharing TeMg4 tetrahedra. Se2- is bonded to four equivalent Mg2+ atoms to form SeMg4 tetrahedra that share corners with four equivalent SeMg4 tetrahedra and corners with eight equivalent TeMg4 tetrahedra.
DOI: 10.17188/1701145
title: Materials Data on LiCrPO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1701146
title: Materials Data on LiFeF4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1701147
title: Materials Data on Li3Co4WO8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1701148
title: Materials Data on Sm2CdNi2 by Materials Project

description: Sm2Ni2Cd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Cd atoms. There are four shorter (2.88 Å) and two longer (3.01 Å) Sm–Ni bond lengths. All Sm–Cd bond lengths are 3.36 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Sm, two equivalent Ni, and one Cd atom. Both Ni–Ni bond lengths are 2.41 Å. The Ni–Cd bond length is 2.90 Å. Cd is bonded in a distorted q6 geometry to eight equivalent Sm and two equivalent Ni atoms.
DOI: 10.17188/1701149
title: Materials Data on Y2Mn3N4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1701150
title: Materials Data on CaAl2F10 by Materials Project

description: CaAl2F10 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ca is bonded to seven F atoms to form distorted CaF7 pentagonal bipyramids that share corners with four equivalent AlF6 octahedra and edges with two equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 7–33°. There are a spread of Ca–F bond distances ranging from 2.25–2.63 Å. Al is bonded to six F atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra, corners with two equivalent CaF7 pentagonal bipyramids, and an edgeedge with one CaF7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 16–32°. There are a spread of Al–F bond distances ranging from 1.73–1.90 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Al atom. In the second F site, F is bonded in a linear geometry to one Ca and one Al atom. In the third F site, F is bonded in a distorted bent 150 degrees geometry to one Ca and two equivalent Al atoms. In the fourth F site, F is bonded in a linear geometry to two equivalent Al atoms. In the fifth F site, F is bonded in a bent 120 degrees geometry to one Ca and one Al atom. In the sixth F site, F is bonded in a bent 150 degrees geometry to one Ca and one Al atom.
DOI: 10.17188/1701151
title: Materials Data on AlTl(SeO4)2 by Materials Project

description: TlAl(SeO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Tl1+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Tl–O bond lengths are 3.12 Å. Al3+ is bonded to six equivalent O2- atoms to form distorted AlO6 pentagonal pyramids that share corners with six equivalent SeO4 tetrahedra. All Al–O bond lengths are 1.93 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with three equivalent AlO6 pentagonal pyramids. There is one shorter (1.65 Å) and three longer (1.67 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Tl1+ and one Se6+ atom.
DOI: 10.17188/1701152
title: Materials Data on Dy3TaO7 by Materials Project

description: Dy3TaO7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.31–2.40 Å. In the second Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with two equivalent TaO6 octahedra, corners with three equivalent DyO7 pentagonal bipyramids, edges with two equivalent TaO6 octahedra, and edges with two equivalent DyO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 34–45°. There are a spread of Dy–O bond distances ranging from 2.25–2.63 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent DyO7 pentagonal bipyramids, and edges with four equivalent DyO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of Ta–O bond distances ranging from 1.94–2.05 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form distorted ODy3Ta tetrahedra that share corners with four equivalent ODy4 tetrahedra and edges with four ODy3Ta tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Ta5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Dy3+ and two equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra.
DOI: 10.17188/1701153
title: Materials Data on Ba2MnNbO6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1701154
title: Materials Data on NdGaCo by Materials Project

description: NdCoGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five equivalent Co and six equivalent Ga atoms. There are a spread of Nd–Co bond distances ranging from 2.94–3.21 Å. There are a spread of Nd–Ga bond distances ranging from 3.07–3.20 Å. Co is bonded in a 9-coordinate geometry to five equivalent Nd and four equivalent Ga atoms. There are two shorter (2.56 Å) and two longer (2.57 Å) Co–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Nd and four equivalent Co atoms.
DOI: 10.17188/1701155
title: Materials Data on Pr3Br by Materials Project

description: Pr3Br is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a square co-planar geometry to four equivalent Br atoms. All Pr–Br bond lengths are 3.54 Å. Br is bonded to twelve equivalent Pr atoms to form a mixture of face and corner-sharing BrPr12 cuboctahedra.
DOI: 10.17188/1701156
title: Materials Data on Mn2AlCu3 by Materials Project

description: Cu3Mn2Al crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to four equivalent Mn, nine equivalent Cu, and three equivalent Al atoms. There are three shorter (2.95 Å) and one longer (3.00 Å) Mn–Mn bond lengths. There are three shorter (2.83 Å) and six longer (2.84 Å) Mn–Cu bond lengths. All Mn–Al bond lengths are 2.83 Å. Cu is bonded to six equivalent Mn, four equivalent Cu, and two equivalent Al atoms to form CuMn6Al2Cu4 cuboctahedra that share corners with four equivalent AlMn6Cu6 cuboctahedra, corners with fourteen equivalent CuMn6Al2Cu4 cuboctahedra, edges with six equivalent CuMn6Al2Cu4 cuboctahedra, faces with six equivalent AlMn6Cu6 cuboctahedra, and faces with twelve equivalent CuMn6Al2Cu4 cuboctahedra. All Cu–Cu bond lengths are 2.42 Å. Both Cu–Al bond lengths are 2.43 Å. Al is bonded to six equivalent Mn and six equivalent Cu atoms to form distorted AlMn6Cu6 cuboctahedra that share corners with six equivalent AlMn6Cu6 cuboctahedra, corners with twelve equivalent CuMn6Al2Cu4 cuboctahedra, edges with six equivalent AlMn6Cu6 cuboctahedra, and faces with eighteen equivalent CuMn6Al2Cu4 cuboctahedra.
DOI: 10.17188/1701157
title: Materials Data on Lu3Mg by Materials Project

description: MgLu3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Lu atoms to form MgLu12 cuboctahedra that share corners with six equivalent MgLu12 cuboctahedra, corners with twelve equivalent LuLu8Mg4 cuboctahedra, edges with eighteen equivalent LuLu8Mg4 cuboctahedra, faces with eight equivalent MgLu12 cuboctahedra, and faces with twelve equivalent LuLu8Mg4 cuboctahedra. There are six shorter (3.37 Å) and six longer (3.43 Å) Mg–Lu bond lengths. Lu is bonded to four equivalent Mg and eight equivalent Lu atoms to form LuLu8Mg4 cuboctahedra that share corners with four equivalent MgLu12 cuboctahedra, corners with fourteen equivalent LuLu8Mg4 cuboctahedra, edges with six equivalent MgLu12 cuboctahedra, edges with twelve equivalent LuLu8Mg4 cuboctahedra, faces with four equivalent MgLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Mg4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.39–3.47 Å.
DOI: 10.17188/1701158
title: Materials Data on Li2Co(CO3)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1701159
title: Materials Data on LiMo2(PO4)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1701160
title: Materials Data on SmDyC4 by Materials Project

description: DySmC4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Dy–C bond distances ranging from 2.46–2.70 Å. Sm3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.54 Å) and eight longer (2.74 Å) Sm–C bond lengths. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to two equivalent Dy3+, three equivalent Sm3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to three equivalent Dy3+, two equivalent Sm3+, and one C+1.50- atom.
DOI: 10.17188/1701161
title: Materials Data on CaDy2(GeO3)4 by Materials Project

description: CaDy2(GeO3)4 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (2.28 Å) and two longer (2.55 Å) Ca–O bond lengths. 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 eight equivalent GeO4 tetrahedra. There are four shorter (2.22 Å) and two longer (2.49 Å) Dy–O bond lengths. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.42 Å) Dy–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent CaO6 octahedra, corners with two equivalent DyO6 octahedra, and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Ge–O bond distances ranging from 1.73–1.85 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Dy3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ca2+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Dy3+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1701162
title: Materials Data on Sr6Al12Bi2O27 by Materials Project

description: Sr6Al12Bi2O27 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.86 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.78 Å. There are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.77 Å) Al–O bond length. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share a cornercorner with one BiO6 octahedra and corners with four AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. There are a spread of Al–O bond distances ranging from 1.77–1.81 Å. In the fourth Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share a cornercorner with one BiO6 octahedra and corners with four AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 78°. There are a spread of Al–O bond distances ranging from 1.77–1.79 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 three shorter (2.22 Å) and three longer (2.79 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with six AlO4 tetrahedra. There are three shorter (2.23 Å) and three longer (2.73 Å) Bi–O bond lengths. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+, two Al3+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+, two Al3+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sr2+ and two Al3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sr2+ and two Al3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Bi3+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Al3+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Al3+ atoms.