cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1716342
title: Materials Data on BiPt3 by Materials Project

description: Pt3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pt+0.67- is bonded to eight equivalent Pt+0.67- and four equivalent Bi2+ atoms to form PtBi4Pt8 cuboctahedra that share corners with twelve equivalent PtBi4Pt8 cuboctahedra, edges with eight equivalent BiPt12 cuboctahedra, edges with sixteen equivalent PtBi4Pt8 cuboctahedra, faces with four equivalent BiPt12 cuboctahedra, and faces with fourteen equivalent PtBi4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.96 Å. All Pt–Bi bond lengths are 2.96 Å. Bi2+ is bonded to twelve equivalent Pt+0.67- atoms to form BiPt12 cuboctahedra that share corners with twelve equivalent BiPt12 cuboctahedra, edges with twenty-four equivalent PtBi4Pt8 cuboctahedra, faces with six equivalent BiPt12 cuboctahedra, and faces with twelve equivalent PtBi4Pt8 cuboctahedra.
DOI: 10.17188/1716343
title: Materials Data on VCr2O4 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: 10.17188/1716344
title: Materials Data on LuI3O10 by Materials Project

description: LuO10I3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four LuO10I3 sheets oriented in the (1, 0, 0) direction. Lu is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of Lu–O bond distances ranging from 2.22–2.37 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Lu and one I atom. The O–I bond length is 1.86 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Lu and one I atom. The O–I bond length is 1.82 Å. In the third O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.84 Å. In the fourth O site, O is bonded in a single-bond geometry to one Lu atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.84 Å. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Lu and one I atom. The O–I bond length is 1.86 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Lu and one I atom. The O–I bond length is 1.85 Å. In the eighth O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.84 Å. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Lu and one I atom. The O–I bond length is 1.85 Å. In the tenth O site, O is bonded in a bent 120 degrees geometry to one Lu and one I atom. The O–I bond length is 1.84 Å. There are three inequivalent I sites. In the first I site, I is bonded in a 4-coordinate geometry to three O atoms. In the second I site, I is bonded in a 5-coordinate geometry to three O atoms. In the third I site, I is bonded in a 4-coordinate geometry to three O atoms.
DOI: 10.17188/1716347
title: Materials Data on AgAs by Materials Project

description: Ag(As) is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Ag1+ and eight equivalent As1- atoms to form AgAg4As8 cuboctahedra that share corners with eight equivalent AsAg8As4 cuboctahedra, corners with ten equivalent AgAg4As8 cuboctahedra, edges with six equivalent AgAg4As8 cuboctahedra, edges with twelve equivalent AsAg8As4 cuboctahedra, faces with eight equivalent AsAg8As4 cuboctahedra, and faces with twelve equivalent AgAg4As8 cuboctahedra. There are two shorter (2.96 Å) and two longer (3.02 Å) Ag–Ag bond lengths. There are four shorter (2.98 Å) and four longer (3.03 Å) Ag–As bond lengths. As1- is bonded to eight equivalent Ag1+ and four equivalent As1- atoms to form distorted AsAg8As4 cuboctahedra that share corners with eight equivalent AgAg4As8 cuboctahedra, corners with ten equivalent AsAg8As4 cuboctahedra, edges with six equivalent AsAg8As4 cuboctahedra, edges with twelve equivalent AgAg4As8 cuboctahedra, faces with eight equivalent AgAg4As8 cuboctahedra, and faces with twelve equivalent AsAg8As4 cuboctahedra. There are two shorter (2.96 Å) and two longer (3.03 Å) As–As bond lengths.
DOI: 10.17188/1716349
title: Materials Data on Sm2MnSbO7 by Materials Project

description: Sm2MnSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to eight O2- atoms to form distorted SmO8 hexagonal bipyramids that share edges with two equivalent SmO8 hexagonal bipyramids, edges with two equivalent MnO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of Sm–O bond distances ranging from 2.25–2.58 Å. In the second Sm3+ site, Sm3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.61 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent SmO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 49–52°. There are two shorter (1.99 Å) and four longer (2.12 Å) Mn–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent MnO6 octahedra, and edges with four equivalent SmO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–52°. There are four shorter (2.00 Å) and two longer (2.05 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm3+ atoms to form OSm4 tetrahedra that share corners with twelve OSm4 tetrahedra and edges with four equivalent OSm2MnSb tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Mn3+ atoms. In the fourth O2- site, O2- is bonded to two Sm3+, one Mn3+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OSm2MnSb tetrahedra.
DOI: 10.17188/1716350
title: Materials Data on K2Zn(SnSe3)2 by Materials Project

description: K2Sn2ZnSe6 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.47 Å) and four longer (3.56 Å) K–Se bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (3.44 Å) and four longer (3.69 Å) K–Se bond lengths. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share edges with two equivalent SnSe4 tetrahedra. All Zn–Se bond lengths are 2.55 Å. Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share an edgeedge with one ZnSe4 tetrahedra and an edgeedge with one SnSe4 tetrahedra. There are two shorter (2.54 Å) and two longer (2.61 Å) Sn–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent K1+ and two equivalent Sn4+ atoms to form a mixture of distorted corner and edge-sharing SeK2Sn2 trigonal pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three K1+, one Zn2+, and one Sn4+ atom.
DOI: 10.17188/1716351
title: Materials Data on Li3Mg(NiO2)4 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: 10.17188/1716352
title: Materials Data on Ba6Pr2Y(CuO2)12 by Materials Project

description: Ba6Pr2Y(CuO2)12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–3.05 Å. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–3.08 Å. Pr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.49–2.51 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.41 Å) and four longer (2.43 Å) Y–O bond lengths. There are four inequivalent Cu+2.08+ sites. In the first Cu+2.08+ site, Cu+2.08+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.97–2.31 Å. In the second Cu+2.08+ site, Cu+2.08+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.97–2.32 Å. In the third Cu+2.08+ site, Cu+2.08+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.84–1.96 Å. In the fourth Cu+2.08+ site, Cu+2.08+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.85–1.96 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ba2+ and two Cu+2.08+ atoms to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 11–12°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Pr4+, and two equivalent Cu+2.08+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two Ba2+, one Pr4+, one Y3+, and two Cu+2.08+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ba2+, one Pr4+, one Y3+, and two Cu+2.08+ atoms. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Pr4+, and two equivalent Cu+2.08+ atoms. In the sixth O2- site, O2- is bonded to four Ba2+ and two Cu+2.08+ atoms to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 11–13°. In the seventh O2- site, O2- is bonded in a distorted T-shaped geometry to two Ba2+ and three Cu+2.08+ atoms. In the eighth O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Ba2+ and three Cu+2.08+ atoms.
DOI: 10.17188/1716353
title: Materials Data on Ca3Ho by Materials Project

description: Ca3Ho is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to eight equivalent Ca and four equivalent Ho atoms to form CaCa8Ho4 cuboctahedra that share corners with twelve equivalent CaCa8Ho4 cuboctahedra, edges with eight equivalent HoCa12 cuboctahedra, edges with sixteen equivalent CaCa8Ho4 cuboctahedra, faces with four equivalent HoCa12 cuboctahedra, and faces with fourteen equivalent CaCa8Ho4 cuboctahedra. All Ca–Ca bond lengths are 3.78 Å. All Ca–Ho bond lengths are 3.78 Å. Ho is bonded to twelve equivalent Ca atoms to form HoCa12 cuboctahedra that share corners with twelve equivalent HoCa12 cuboctahedra, edges with twenty-four equivalent CaCa8Ho4 cuboctahedra, faces with six equivalent HoCa12 cuboctahedra, and faces with twelve equivalent CaCa8Ho4 cuboctahedra.
DOI: 10.17188/1716354
title: Materials Data on K2CeCuI6 by Materials Project

description: K2CeCuI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent I1- atoms to form KI12 cuboctahedra that share corners with twelve equivalent KI12 cuboctahedra, faces with six equivalent KI12 cuboctahedra, faces with four equivalent CeI6 octahedra, and faces with four equivalent CuI6 octahedra. All K–I bond lengths are 4.23 Å. Ce3+ is bonded to six equivalent I1- atoms to form CeI6 octahedra that share corners with six equivalent CuI6 octahedra and faces with eight equivalent KI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–I bond lengths are 3.12 Å. Cu1+ is bonded to six equivalent I1- atoms to form CuI6 octahedra that share corners with six equivalent CeI6 octahedra and faces with eight equivalent KI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–I bond lengths are 2.86 Å. I1- is bonded in a distorted linear geometry to four equivalent K1+, one Ce3+, and one Cu1+ atom.
DOI: 10.17188/1716355
title: Materials Data on Tb3(In3Pt)4 by Materials Project

description: Tb3(PtIn3)4 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to six equivalent Pt and twelve In atoms. There are three shorter (3.19 Å) and three longer (3.56 Å) Tb–Pt bond lengths. There are a spread of Tb–In bond distances ranging from 3.40–3.61 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to three Pt and ten In atoms. There are one shorter (3.01 Å) and two longer (3.05 Å) Tb–Pt bond lengths. There are a spread of Tb–In bond distances ranging from 3.26–3.37 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to six equivalent Pt and twelve In atoms. All Tb–Pt bond lengths are 3.69 Å. There are six shorter (3.45 Å) and six longer (3.52 Å) Tb–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three Tb and six In atoms. There are a spread of Pt–In bond distances ranging from 2.75–2.79 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to three Tb and six In atoms. There are a spread of Pt–In bond distances ranging from 2.73–2.82 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to three Tb and two equivalent Pt atoms. In the second In site, In is bonded in a distorted bent 150 degrees geometry to three Tb and two equivalent Pt atoms. In the third In site, In is bonded in a 3-coordinate geometry to three equivalent Tb, three equivalent Pt, and one In atom. The In–In bond length is 3.04 Å. In the fourth In site, In is bonded in a 3-coordinate geometry to three Tb and three Pt atoms. In the fifth In site, In is bonded in a 2-coordinate geometry to three Tb and two equivalent Pt atoms. In the sixth In site, In is bonded in a 4-coordinate geometry to three equivalent Tb and one In atom. In the seventh In site, In is bonded in a 2-coordinate geometry to two equivalent Tb, two equivalent Pt, and two equivalent In atoms. Both In–In bond lengths are 3.49 Å. In the eighth In site, In is bonded in a 6-coordinate geometry to six equivalent In atoms.
DOI: 10.17188/1716356
title: Materials Data on Sm4As3 by Materials Project

description: Sm4As3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sm+2.25+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, corner, and face-sharing SmAs6 octahedra. The corner-sharing octahedra tilt angles range from 20–48°. There are three shorter (2.94 Å) and three longer (3.24 Å) Sm–As bond lengths. As3- is bonded in a 8-coordinate geometry to eight equivalent Sm+2.25+ atoms.
DOI: 10.17188/1716357
title: Materials Data on Sn(TePd3)2 by Materials Project

description: Sn(Pd3Te)2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are six inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd, two equivalent Sn, and two equivalent Te atoms to form distorted PdSn2Te2Pd8 cuboctahedra that share corners with four equivalent PdSn2Te2Pd8 cuboctahedra, edges with four equivalent PdSn4Pd8 cuboctahedra, edges with four equivalent SnPd12 cuboctahedra, faces with two equivalent SnPd12 cuboctahedra, and faces with ten PdSn2Te2Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.85–3.00 Å. Both Pd–Sn bond lengths are 2.83 Å. Both Pd–Te bond lengths are 2.76 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Pd, two equivalent Sn, and two equivalent Te atoms. There are two shorter (2.85 Å) and four longer (2.89 Å) Pd–Pd bond lengths. Both Pd–Sn bond lengths are 2.87 Å. Both Pd–Te bond lengths are 2.66 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Pd, two equivalent Sn, and two equivalent Te atoms. Both Pd–Pd bond lengths are 2.85 Å. Both Pd–Sn bond lengths are 2.87 Å. Both Pd–Te bond lengths are 2.66 Å. In the fourth Pd site, Pd is bonded to eight Pd and four equivalent Sn atoms to form PdSn4Pd8 cuboctahedra that share corners with four equivalent PdSn4Pd8 cuboctahedra, edges with eight equivalent PdSn2Te2Pd8 cuboctahedra, faces with four equivalent SnPd12 cuboctahedra, and faces with eight PdSn2Te2Pd8 cuboctahedra. All Pd–Sn bond lengths are 2.89 Å. In the fifth Pd site, Pd is bonded in a 5-coordinate geometry to four equivalent Pd and five Te atoms. There are one shorter (2.63 Å) and four longer (2.91 Å) Pd–Te bond lengths. In the sixth Pd site, Pd is bonded in a 10-coordinate geometry to six Pd, two equivalent Sn, and two equivalent Te atoms. There are two shorter (2.85 Å) and four longer (2.89 Å) Pd–Pd bond lengths. Both Pd–Sn bond lengths are 2.87 Å. Both Pd–Te bond lengths are 2.66 Å. Sn is bonded to twelve Pd atoms to form SnPd12 cuboctahedra that share corners with four equivalent SnPd12 cuboctahedra, edges with eight equivalent PdSn2Te2Pd8 cuboctahedra, faces with four equivalent SnPd12 cuboctahedra, and faces with eight PdSn2Te2Pd8 cuboctahedra. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 5-coordinate geometry to five Pd atoms. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Pd atoms.
DOI: 10.17188/1716358
title: Materials Data on InHg2Pb by Materials Project

description: Hg2InPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hg2InPb ribbons oriented in the (1, 0, 0) direction. Hg is bonded in a linear geometry to one In and one Pb atom. The Hg–In bond length is 2.99 Å. The Hg–Pb bond length is 2.96 Å. In is bonded in a linear geometry to two equivalent Hg atoms. Pb is bonded in a linear geometry to two equivalent Hg atoms.
DOI: 10.17188/1716359
title: Materials Data on Li3CrCo3O8 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: 10.17188/1716360
title: Materials Data on Rb12Sn2Bi6O by Materials Project

description: Rb12Sn2Bi6O crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to two equivalent Rb, two equivalent Sn, and six equivalent Bi atoms. There are one shorter (3.86 Å) and one longer (3.87 Å) Rb–Rb bond lengths. There are one shorter (4.15 Å) and one longer (4.17 Å) Rb–Sn bond lengths. There are a spread of Rb–Bi bond distances ranging from 4.19–4.26 Å. In the second Rb site, Rb is bonded in a distorted single-bond geometry to four equivalent Bi and one O atom. There are a spread of Rb–Bi bond distances ranging from 3.77–4.09 Å. The Rb–O bond length is 2.85 Å. Sn is bonded in a 3-coordinate geometry to six equivalent Rb and three equivalent Bi atoms. All Sn–Bi bond lengths are 2.86 Å. Bi is bonded in a 11-coordinate geometry to ten Rb and one Sn atom. O is bonded in an octahedral geometry to six equivalent Rb atoms.
DOI: 10.17188/1716361
title: Materials Data on HgCl2 by Materials Project

description: HgCl2 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four mercuric chloride molecules. Hg2+ is bonded in a linear geometry to two Cl1- atoms. Both Hg–Cl bond lengths are 2.28 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom.
DOI: 10.17188/1716362
title: Materials Data on Ag6Te4W3O20 by Materials Project

description: W3Ag6Te4O20 is Brookite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.81–2.20 Å. In the second W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.83–2.21 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.22–2.86 Å. In the second Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.65 Å. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.30–2.96 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.57 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.49 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one W6+, one Ag1+, and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+, one Ag1+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and two Ag1+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one W6+, one Ag1+, and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and two Ag1+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Te4+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one Ag1+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one W6+, two equivalent Ag1+, and one Te4+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one W6+, two Ag1+, and one Te4+ atom.