cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1319265
title: Materials Data on Mg2NiSbO6 by Materials Project

description: Mg2NiSbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.06–2.66 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.02–2.66 Å. Ni3+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent NiO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–45°. There are a spread of Ni–O bond distances ranging from 1.93–2.14 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 41–49°. There are a spread of Sb–O bond distances ranging from 1.96–2.06 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+, one Ni3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Mg2+, one Ni3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two Mg2+ and two equivalent Sb5+ atoms to form distorted OMg2Sb2 tetrahedra that share corners with two equivalent OMg2Sb2 tetrahedra and corners with two equivalent OMg2Ni2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two Mg2+ and two equivalent Ni3+ atoms to form distorted OMg2Ni2 trigonal pyramids that share corners with two equivalent OMg2Sb2 tetrahedra and corners with two equivalent OMg2Ni2 trigonal pyramids.
DOI: 10.17188/1319266
title: Materials Data on MoN by Materials Project

description: MoN crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MoN sheets oriented in the (0, 0, 1) direction. Mo3+ is bonded in a distorted square co-planar geometry to four equivalent N3- atoms. There are a spread of Mo–N bond distances ranging from 2.07–2.12 Å. N3- is bonded in a distorted square co-planar geometry to four equivalent Mo3+ atoms.
DOI: 10.17188/1319267
title: Materials Data on Mg(CoN)2 by Materials Project

description: Mg(CoN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Mg(CoN)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to four equivalent N3- atoms to form corner-sharing MgN4 tetrahedra. All Mg–N bond lengths are 2.18 Å. Co2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.73 Å. N3- is bonded in a see-saw-like geometry to two equivalent Mg2+ and two equivalent Co2+ atoms.
DOI: 10.17188/1319268
title: Materials Data on Mg2MnN2 by Materials Project

description: Mg2MnN2 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 five N3- atoms to form a mixture of corner and edge-sharing MgN5 square pyramids. There are a spread of Mg–N bond distances ranging from 2.17–2.35 Å. In the second Mg2+ site, Mg2+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of Mg–N bond distances ranging from 2.12–2.24 Å. Mn2+ is bonded in a distorted trigonal non-coplanar geometry to three N3- atoms. There are a spread of Mn–N bond distances ranging from 1.83–1.92 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Mg2+ and one Mn2+ atom to form a mixture of corner and edge-sharing NMg5Mn octahedra. The corner-sharing octahedra tilt angles range from 4–29°. In the second N3- site, N3- is bonded to four Mg2+ and two equivalent Mn2+ atoms to form a mixture of corner and edge-sharing NMg4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 4–29°.
DOI: 10.17188/1319269
title: Materials Data on CaFeO2 by Materials Project

description: CaFeO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to five O2- atoms to form distorted CaO5 trigonal bipyramids that share corners with four equivalent CaO4 tetrahedra, corners with two equivalent FeO5 trigonal bipyramids, edges with two equivalent CaO5 trigonal bipyramids, and a faceface with one FeO5 trigonal bipyramid. There are a spread of Ca–O bond distances ranging from 2.28–2.42 Å. In the second Ca2+ site, Ca2+ is bonded to four O2- atoms to form CaO4 tetrahedra that share corners with two equivalent CaO4 tetrahedra, corners with four equivalent CaO5 trigonal bipyramids, corners with four equivalent FeO5 trigonal bipyramids, and an edgeedge with one FeO5 trigonal bipyramid. There are three shorter (2.23 Å) and one longer (2.31 Å) Ca–O bond lengths. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.00–2.21 Å. In the second Fe2+ site, Fe2+ is bonded to five O2- atoms to form distorted FeO5 trigonal bipyramids that share corners with four equivalent CaO4 tetrahedra, corners with two equivalent CaO5 trigonal bipyramids, an edgeedge with one CaO4 tetrahedra, edges with two equivalent FeO5 trigonal bipyramids, and a faceface with one CaO5 trigonal bipyramid. There are a spread of Fe–O bond distances ranging from 2.06–2.38 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+ and three Fe2+ atoms to form distorted OCaFe3 tetrahedra that share corners with two equivalent OCaFe3 tetrahedra, corners with four equivalent OCa3Fe2 trigonal bipyramids, and an edgeedge with one OCa3Fe2 trigonal bipyramid. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Fe2+ atoms. In the third O2- site, O2- is bonded to three Ca2+ and two equivalent Fe2+ atoms to form distorted OCa3Fe2 trigonal bipyramids that share corners with four equivalent OCaFe3 tetrahedra, an edgeedge with one OCaFe3 tetrahedra, and edges with two equivalent OCa3Fe2 trigonal bipyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+ and two equivalent Fe2+ atoms.
DOI: 10.17188/1319270
title: Materials Data on YWO3 by Materials Project

description: YWO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. All Y–O bond lengths are 2.90 Å. W3+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 2.05 Å. O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent W3+ atoms.
DOI: 10.17188/1319271
title: Materials Data on Mg2VSbO6 by Materials Project

description: Mg2VSbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.09–2.72 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.01–2.70 Å. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–44°. There are a spread of V–O bond distances ranging from 2.02–2.10 Å. Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There are four shorter (1.98 Å) and two longer (2.08 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+, one V5+, and one Sb3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Mg2+, one V5+, and one Sb3+ atom. In the third O2- site, O2- is bonded to two Mg2+ and two equivalent Sb3+ atoms to form distorted OMg2Sb2 tetrahedra that share corners with two equivalent OMg2Sb2 tetrahedra and corners with two equivalent OMg2V2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two Mg2+ and two equivalent V5+ atoms to form distorted OMg2V2 trigonal pyramids that share corners with two equivalent OMg2Sb2 tetrahedra and corners with two equivalent OMg2V2 trigonal pyramids.
DOI: 10.17188/1319272
title: Materials Data on Cr3Se2ClO8 (SG:59) 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: 10.17188/1319273
title: Materials Data on ZnSbF6 by Materials Project

description: ZnSbF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zn is bonded to six equivalent F atoms to form ZnF6 octahedra that share corners with six equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 29°. All Zn–F bond lengths are 2.06 Å. Sb is bonded to six equivalent F atoms to form SbF6 octahedra that share corners with six equivalent ZnF6 octahedra. The corner-sharing octahedral tilt angles are 29°. All Sb–F bond lengths are 2.06 Å. F is bonded in a bent 150 degrees geometry to one Zn and one Sb atom.
DOI: 10.17188/1319274
title: Materials Data on YCo3Se2ClO8 (SG:59) 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: 10.17188/1319275
title: Materials Data on MgTiF6 by Materials Project

description: MgTiF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Mg–F bond lengths are 2.01 Å. Ti4+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Ti–F bond lengths are 1.89 Å. F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one Ti4+ atom.
DOI: 10.17188/1319276
title: Materials Data on V2ZnN2 by Materials Project

description: V2ZnN2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one V2ZnN2 sheet oriented in the (0, 0, 1) direction. V2+ is bonded in a linear geometry to two equivalent N3- atoms. Both V–N bond lengths are 1.87 Å. Zn2+ is bonded to four equivalent N3- atoms to form corner-sharing ZnN4 tetrahedra. All Zn–N bond lengths are 2.26 Å. N3- is bonded in a distorted see-saw-like geometry to two equivalent V2+ and two equivalent Zn2+ atoms.
DOI: 10.17188/1319277
title: Materials Data on YSbO3 by Materials Project

description: YSbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.74 Å. Sb3+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Sb–O bond distances ranging from 2.26–2.40 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Y3+ and two equivalent Sb3+ atoms.
DOI: 10.17188/1319278
title: Materials Data on SbF5 by Materials Project

description: SbF5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SbF4 cluster and one SbF6 cluster. In the SbF4 cluster, Sb5+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.57–2.01 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the SbF6 cluster, Sb5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 2.07–2.26 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.
DOI: 10.17188/1319279
title: Materials Data on CaAgF5 by Materials Project

description: CaAgF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to seven F1- atoms. There are a spread of Ca–F bond distances ranging from 1.85–2.88 Å. In the second Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to seven F1- atoms. There are a spread of Ca–F bond distances ranging from 1.85–2.87 Å. There are two inequivalent Ag3+ sites. In the first Ag3+ site, Ag3+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 1.93–2.58 Å. In the second Ag3+ site, Ag3+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.03–2.61 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Ca2+ and two Ag3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Ca2+ and two Ag3+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to one Ca2+ and one Ag3+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to one Ca2+ and one Ag3+ atom. In the fifth F1- site, F1- is bonded in a distorted L-shaped geometry to two Ca2+ and one Ag3+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ca2+ and one Ag3+ atom. In the seventh F1- site, F1- is bonded in a distorted L-shaped geometry to two Ca2+ and one Ag3+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ca2+ and one Ag3+ atom. In the ninth F1- site, F1- is bonded in a 2-coordinate geometry to one Ca2+ and one Ag3+ atom. In the tenth F1- site, F1- is bonded in a distorted linear geometry to one Ca2+ and one Ag3+ atom.
DOI: 10.17188/1319285
title: Materials Data on YTi3Se2ClO8 (SG:1) 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: 10.17188/1319286
title: Materials Data on VZnF6 by Materials Project

description: VZnF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. V4+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent ZnF6 octahedra. The corner-sharing octahedral tilt angles are 28°. All V–F bond lengths are 1.88 Å. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 28°. All Zn–F bond lengths are 2.05 Å. F1- is bonded in a bent 150 degrees geometry to one V4+ and one Zn2+ atom.
DOI: 10.17188/1319287
title: Materials Data on ZnMoF6 (SG:148) 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: 10.17188/1319288
title: Materials Data on Ti3AlSe2ClO8 (SG:1) 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: 10.17188/1319289
title: Materials Data on MgVF6 by Materials Project

description: MgVF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Mg–F bond lengths are 2.01 Å. V4+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All V–F bond lengths are 1.88 Å. F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one V4+ atom.
DOI: 10.17188/1319290
title: Materials Data on MnAlF5 (SG:71) 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: 10.17188/1319291
title: Materials Data on AlNiF5 (SG:71) 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: 10.17188/1319292
title: Materials Data on YFe3Se2ClO8 (SG:59) 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: 10.17188/1319293
title: Materials Data on TeO3 by Materials Project

description: TeO3 crystallizes in the hexagonal P6_3cm space group. The structure is two-dimensional and consists of two TeO3 sheets oriented in the (0, 0, 1) direction. Te6+ is bonded to five O2- atoms to form corner-sharing TeO5 trigonal bipyramids. There are a spread of Te–O bond distances ranging from 1.80–2.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te6+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Te6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Te6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Te6+ atom.
DOI: 10.17188/1319294
title: Materials Data on YWO3 by Materials Project

description: YWO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.86 Å. W3+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of W–O bond distances ranging from 2.16–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent W3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent W3+ atoms to form distorted corner-sharing OY2W2 trigonal pyramids.
DOI: 10.17188/1319295
title: Materials Data on YV3Se2ClO8 (SG:59) 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: 10.17188/1319296
title: Materials Data on YSbO3 by Materials Project

description: YSbO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.38 Å. Sb3+ is bonded to five O2- atoms to form corner-sharing SbO5 trigonal bipyramids. There are three shorter (2.18 Å) and two longer (2.26 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Sb3+ atoms. In the second O2- site, O2- is bonded to three equivalent Y3+ and one Sb3+ atom to form a mixture of edge and corner-sharing OY3Sb tetrahedra.
DOI: 10.17188/1319297
title: Materials Data on Zn2Bi3O8 by Materials Project

description: Zn2Bi3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with nine BiO6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. There are a spread of Zn–O bond distances ranging from 1.98–2.09 Å. There are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with four equivalent BiO6 octahedra. There are four shorter (2.35 Å) and two longer (2.40 Å) Bi–O bond lengths. In the second Bi4+ site, Bi4+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with four BiO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.17–2.33 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two equivalent Bi4+ atoms. In the second O2- site, O2- is bonded to one Zn2+ and three Bi4+ atoms to form a mixture of distorted edge and corner-sharing OZnBi3 trigonal pyramids. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two Bi4+ atoms.