cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1321478
title: Materials Data on Ca2SnIrO6 by Materials Project

description: Ca2IrSnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.32–2.80 Å. Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 33–35°. All Ir–O bond lengths are 2.04 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 33–35°. All Sn–O bond lengths are 2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+, one Ir4+, and one Sn4+ atom to form distorted corner-sharing OCa2SnIr tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Ir4+, and one Sn4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Ir4+, and one Sn4+ atom.
DOI: 10.17188/1321479
title: Materials Data on Ca(CuO2)2 by Materials Project

description: Ca(CuO2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.38–2.48 Å. There are two inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There are a spread of Cu–O bond distances ranging from 1.99–2.05 Å. In the second Cu3+ site, Cu3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There are a spread of Cu–O bond distances ranging from 1.97–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+ and three equivalent Cu3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ca2+ and three Cu3+ atoms to form a mixture of distorted edge and corner-sharing OCa2Cu3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Ca2+ and three equivalent Cu3+ atoms to form a mixture of distorted edge and corner-sharing OCa2Cu3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+ and three Cu3+ atoms.
DOI: 10.17188/1321481
title: Materials Data on MgVAsO5 (SG:19) 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: 10.17188/1321482
title: Materials Data on TeWO6 by Materials Project

description: WTeO6 is High-temperature superconductor-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All W–O bond lengths are 1.92 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Te–O bond lengths are 1.91 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one W6+ and one Te6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one W6+ and one Te6+ atom. In the third O2- site, O2- is bonded in a linear geometry to one W6+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one W6+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one W6+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one W6+ and one Te6+ atom.
DOI: 10.17188/1321483
title: Materials Data on TeIrO6 by Materials Project

description: IrTeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir is bonded to six O atoms to form IrO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 42–44°. There is four shorter (1.93 Å) and two longer (1.94 Å) Ir–O bond length. Te is bonded to six O atoms to form TeO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 42–44°. All Te–O bond lengths are 1.98 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ir and one Te atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ir and one Te atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Ir and one Te atom.
DOI: 10.17188/1321484
title: Materials Data on CaNiAsO5 by Materials Project

description: CaNiAsO5 is Esseneite-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.73 Å. Ni3+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent AsO4 tetrahedra and edges with two equivalent NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.85–2.09 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 40–62°. There are a spread of As–O bond distances ranging from 1.70–1.75 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent Ni3+, and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one As5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Ni3+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Ni3+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ca2+ and two equivalent Ni3+ atoms.
DOI: 10.17188/1321485
title: Materials Data on Mg(MoO2)2 (SG:166) 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: 10.17188/1321488
title: Materials Data on MoWO6 (SG:8) 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: 10.17188/1321489
title: Materials Data on Zn(MoO2)2 (SG:166) 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: 10.17188/1321490
title: Materials Data on MgCrP2O7 (SG: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: 10.17188/1321491
title: Materials Data on ZnNiP2O7 (SG: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: 10.17188/1321493
title: Materials Data on ZnSnAsO5 by Materials Project

description: ZnSnAsO5 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.91–2.72 Å. In the second Zn2+ site, Zn2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.90–2.25 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with four AsO4 tetrahedra and edges with two equivalent SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.01–2.21 Å. In the second Sn3+ site, Sn3+ is bonded to six O2- atoms to form distorted SnO6 octahedra that share corners with four AsO4 tetrahedra and edges with two equivalent SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.27–2.57 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four SnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of As–O bond distances ranging from 1.70–1.75 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four SnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–61°. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Sn3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Sn3+ and one As5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+, one Sn3+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+, one Sn3+, and one As5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+, one Sn3+, and one As5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+, one Sn3+, and one As5+ atom. In the ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two Sn3+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two Zn2+ and two Sn3+ atoms.
DOI: 10.17188/1321494
title: Materials Data on Sr2YMo2O7 (SG:46) 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: 10.17188/1321495
title: Materials Data on Zn2CuIrO6 by Materials Project

description: IrCuZn2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There is four shorter (1.97 Å) and two longer (1.99 Å) Ir–O bond length. Cu3+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are a spread of Cu–O bond distances ranging from 1.97–2.18 Å. Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.07 Å) Zn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ir5+, one Cu3+, and two equivalent Zn2+ atoms to form distorted corner-sharing OZn2CuIr trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ir5+, one Cu3+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ir5+, one Cu3+, and one Zn2+ atom.
DOI: 10.17188/1321496
title: Materials Data on Mg2CuIrO6 by Materials Project

description: Mg2IrCuO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.72 Å. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There is four shorter (1.96 Å) and two longer (1.98 Å) Ir–O bond length. Cu3+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Cu–O bond distances ranging from 2.00–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+, one Ir5+, and one Cu3+ atom to form distorted corner-sharing OMg2CuIr trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Mg2+, one Ir5+, and one Cu3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one Ir5+, and one Cu3+ atom.
DOI: 10.17188/1321497
title: Materials Data on ZnFeP2O7 (SG: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: 10.17188/1321498
title: Materials Data on Sr2Mn2GaO7 (SG:46) 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: 10.17188/1321499
title: Materials Data on MgFeP2O7 (SG: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: 10.17188/1321500
title: Materials Data on Ca(BiO2)2 by Materials Project

description: CaBi2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.47–3.00 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–75°. There are a spread of Bi–O bond distances ranging from 2.28–2.58 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–75°. There are a spread of Bi–O bond distances ranging from 2.24–2.69 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing OCa2Bi3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+ and three Bi3+ atoms. In the third O2- site, O2- is bonded to two equivalent Ca2+ and three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing OCa2Bi3 square pyramids. In the fourth O2- site, O2- is bonded to two equivalent Ca2+ and three Bi3+ atoms to form a mixture of distorted corner and edge-sharing OCa2Bi3 trigonal bipyramids.
DOI: 10.17188/1321501
title: Materials Data on ZnCrP2O7 (SG: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: 10.17188/1321502
title: Materials Data on ZnCrAsO5 by Materials Project

description: CrZnAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent AsO4 tetrahedra and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.96–2.08 Å. Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.86–2.81 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr3+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr3+, one Zn2+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Cr3+, two equivalent Zn2+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Cr3+ and one Zn2+ atom.
DOI: 10.17188/1321503
title: Materials Data on CaCrP2O7 (SG: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: 10.17188/1321504
title: Materials Data on ZnWO3 by Materials Project

description: WZnO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. W4+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 8–12°. There are a spread of W–O bond distances ranging from 1.95–2.05 Å. Zn2+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 2.11–2.61 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a T-shaped geometry to two equivalent W4+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent W4+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent W4+ and two equivalent Zn2+ atoms.
DOI: 10.17188/1321505
title: Materials Data on Mg(SbO2)2 by Materials Project

description: MgSb2O4 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two MgSb2O4 sheets oriented in the (0, 0, 1) direction. Mg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.18–2.59 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.01 Å) and two longer (2.07 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded to five O2- atoms to form distorted edge-sharing SbO5 square pyramids. There are a spread of Sb–O bond distances ranging from 2.18–2.26 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+ and three Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg2+ and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Mg2+ and two equivalent Sb3+ atoms.
DOI: 10.17188/1321506
title: Materials Data on Zn(SnO2)2 by Materials Project

description: ZnSn2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.70–2.82 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Sn–O bond distances ranging from 2.15–2.24 Å. In the second Sn3+ site, Sn3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Sn–O bond distances ranging from 2.15–2.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Zn2+ and three equivalent Sn3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Zn2+ and three Sn3+ atoms. In the third O2- site, O2- is bonded to two equivalent Zn2+ and three equivalent Sn3+ atoms to form distorted edge-sharing OZn2Sn3 square pyramids. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three Sn3+ atoms.
DOI: 10.17188/1321507
title: Materials Data on Ca2CoWO6 by Materials Project

description: Ca2CoWO6 is Orthorhombic Perovskite-derived structured and 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 11-coordinate geometry to eleven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.45–3.10 Å. In the second Ca2+ site, Ca2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.44–3.10 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. There are a spread of W–O bond distances ranging from 1.92–1.97 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. There are a spread of Co–O bond distances ranging from 2.00–2.08 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+, one W6+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+, one W6+, and one Co2+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Ca2+, one W6+, and one Co2+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Ca2+, one W6+, and one Co2+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to four Ca2+, one W6+, and one Co2+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four Ca2+, one W6+, and one Co2+ atom.