cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1746279
title: Materials Data on AlGe3 by Materials Project

description: AlGe3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Al is bonded to twelve Ge atoms to form AlGe12 cuboctahedra that share corners with four equivalent AlGe12 cuboctahedra, edges with eight equivalent AlGe12 cuboctahedra, edges with sixteen equivalent GeAl4Ge8 cuboctahedra, faces with four equivalent AlGe12 cuboctahedra, and faces with eight equivalent GeAl4Ge8 cuboctahedra. There are four shorter (2.86 Å) and eight longer (3.05 Å) Al–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Al and eight Ge atoms to form distorted GeAl4Ge8 cuboctahedra that share corners with twelve equivalent GeAl4Ge8 cuboctahedra, edges with eight equivalent AlGe12 cuboctahedra, edges with eight equivalent GeAl4Ge8 cuboctahedra, faces with four equivalent AlGe12 cuboctahedra, and faces with ten equivalent GeAl4Ge8 cuboctahedra. There are four shorter (2.86 Å) and four longer (3.05 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a square co-planar geometry to four equivalent Al and eight equivalent Ge atoms.
DOI: 10.17188/1746280
title: Materials Data on Tb2In3Cu by Materials Project

description: Tb2CuIn3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to three equivalent Cu and nine In atoms. All Tb–Cu bond lengths are 3.06 Å. There are a spread of Tb–In bond distances ranging from 3.14–3.67 Å. In the second Tb site, Tb is bonded in a 9-coordinate geometry to three equivalent Cu and nine In atoms. All Tb–Cu bond lengths are 3.43 Å. There are a spread of Tb–In bond distances ranging from 3.15–3.69 Å. Cu is bonded in a 10-coordinate geometry to six Tb and four In atoms. There are three shorter (2.76 Å) and one longer (2.94 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Tb, three equivalent Cu, and one In atom. The In–In bond length is 3.24 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Tb and four In atoms. All In–In bond lengths are 2.87 Å. In the third In site, In is bonded in a 10-coordinate geometry to six Tb, one Cu, and three equivalent In atoms.
DOI: 10.17188/1746281
title: Materials Data on Dy2Pt2O7 by Materials Project

description: Dy2Pt2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.23 Å) and six longer (2.44 Å) Dy–O bond lengths. Pt4+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Pt–O bond lengths are 2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Pt4+ atoms to form a mixture of distorted edge and corner-sharing ODy2Pt2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra.
DOI: 10.17188/1746282
title: Materials Data on K2NaInCl6 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: 10.17188/1746284
title: Materials Data on Li3Cr3GaO8 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: 10.17188/1746285
title: Materials Data on Li4CoOF5 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: 10.17188/1746286
title: Materials Data on CsMn(PO3)6 by Materials Project

description: CsMn(PO3)6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.68 Å. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.22 Å. There are three inequivalent P+4.67+ sites. In the first P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent MnO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. In the second P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. In the third P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one MnO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of P–O bond distances ranging from 1.47–1.62 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one P+4.67+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Mn7+, and one P+4.67+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P+4.67+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Mn7+, and one P+4.67+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Cs1+ and one P+4.67+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P+4.67+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two P+4.67+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn7+ and one P+4.67+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one P+4.67+ atom.
DOI: 10.17188/1746287
title: Materials Data on Ni3Se4 by Materials Project

description: Ni3Se4 is Hausmannite-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Ni+2.67+ sites. In the first Ni+2.67+ site, Ni+2.67+ is bonded to four Se2- atoms to form corner-sharing NiSe4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All Ni–Se bond lengths are 2.32 Å. In the second Ni+2.67+ site, Ni+2.67+ is bonded to six Se2- atoms to form NiSe6 octahedra that share corners with six equivalent NiSe4 tetrahedra and edges with six NiSe6 octahedra. All Ni–Se bond lengths are 2.41 Å. In the third Ni+2.67+ site, Ni+2.67+ is bonded to six Se2- atoms to form NiSe6 octahedra that share corners with six equivalent NiSe4 tetrahedra and edges with six NiSe6 octahedra. All Ni–Se bond lengths are 2.41 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four Ni+2.67+ atoms to form a mixture of distorted edge and corner-sharing SeNi4 trigonal pyramids. In the second Se2- site, Se2- is bonded to four Ni+2.67+ atoms to form a mixture of distorted edge and corner-sharing SeNi4 trigonal pyramids.
DOI: 10.17188/1746289
title: Materials Data on Ni(PO3)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: 10.17188/1746290
title: Materials Data on CoNiO3 by Materials Project

description: CoNiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with nine equivalent NiO6 octahedra, edges with three equivalent CoO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. There is three shorter (1.89 Å) and three longer (1.91 Å) Co–O bond length. Ni2+ is bonded to six equivalent O2- atoms to form distorted NiO6 octahedra that share corners with nine equivalent CoO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. There are three shorter (1.99 Å) and three longer (2.13 Å) Ni–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Co4+ and two equivalent Ni2+ atoms.
DOI: 10.17188/1746292
title: Materials Data on Fe(NiN)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: 10.17188/1746294
title: Materials Data on Na3ErCl6 by Materials Project

description: (Na)2NaErCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight natrium molecules and one NaErCl6 framework. In the NaErCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent ErCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.70 Å. Er3+ is bonded to six equivalent Cl1- atoms to form ErCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Cl bond lengths are 2.59 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Er3+ atom.
DOI: 10.17188/1746295
title: Materials Data on Li3Fe(PO4)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: 10.17188/1746296
title: Materials Data on Ce(GaPd)2 by Materials Project

description: Ce(PdGa)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to eight Pd and eight Ga atoms. There are four shorter (3.27 Å) and four longer (3.41 Å) Ce–Pd bond lengths. There are four shorter (3.32 Å) and four longer (3.34 Å) Ce–Ga bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Ce and four equivalent Ga atoms to form distorted PdCe4Ga4 tetrahedra that share corners with twelve equivalent GaCe4Pd4 tetrahedra, edges with two equivalent GaCe4Pd4 tetrahedra, edges with four equivalent PdCe4Ga4 tetrahedra, and faces with four equivalent PdCe4Ga4 tetrahedra. All Pd–Ga bond lengths are 2.54 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.49 Å) and four longer (2.55 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ce and four equivalent Pd atoms to form distorted GaCe4Pd4 tetrahedra that share corners with twelve equivalent PdCe4Ga4 tetrahedra, edges with two equivalent PdCe4Ga4 tetrahedra, edges with four equivalent GaCe4Pd4 tetrahedra, and faces with four equivalent GaCe4Pd4 tetrahedra. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Pd atoms.
DOI: 10.17188/1746297
title: Materials Data on Y2Fe17C3 by Materials Project

description: Y2Fe17C3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a distorted trigonal planar geometry to four Fe and three equivalent C atoms. There are one shorter (3.08 Å) and three longer (3.32 Å) Y–Fe bond lengths. All Y–C bond lengths are 2.50 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form FeY2Fe10 cuboctahedra that share corners with four equivalent FeY2Fe10 cuboctahedra, corners with two equivalent CY2Fe4 octahedra, faces with four equivalent FeY2Fe10 cuboctahedra, and faces with four equivalent CY2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Fe–Fe bond distances ranging from 2.44–2.65 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one C atom. Both Fe–Fe bond lengths are 2.73 Å. The Fe–C bond length is 1.87 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe and one C atom. The Fe–Fe bond length is 2.66 Å. The Fe–C bond length is 1.91 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. The Fe–Fe bond length is 2.37 Å. C is bonded to two equivalent Y and four Fe atoms to form CY2Fe4 octahedra that share corners with two equivalent FeY2Fe10 cuboctahedra, corners with four equivalent CY2Fe4 octahedra, and faces with four equivalent FeY2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.
DOI: 10.17188/1746298
title: Materials Data on Eu3BWO9 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: 10.17188/1746299
title: Materials Data on Ni(SO6)2 by Materials Project

description: NiO6(SO3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two sulfur trioxide molecules and one NiO6 cluster. In the NiO6 cluster, Ni is bonded in an octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.74–1.93 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Ni and one O atom. The O–O bond length is 1.30 Å. In the second O site, O is bonded in a single-bond geometry to one Ni atom. In the third O site, O is bonded in a 2-coordinate geometry to one Ni and one O atom.
DOI: 10.17188/1746300
title: Materials Data on DyHo by Materials Project

description: HoDy is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded to six equivalent Ho and six equivalent Dy atoms to form HoDy6Ho6 cuboctahedra that share corners with eighteen equivalent HoDy6Ho6 cuboctahedra, edges with six equivalent HoDy6Ho6 cuboctahedra, edges with twelve equivalent DyDy6Ho6 cuboctahedra, faces with eight equivalent HoDy6Ho6 cuboctahedra, and faces with twelve equivalent DyDy6Ho6 cuboctahedra. All Ho–Ho bond lengths are 3.60 Å. All Ho–Dy bond lengths are 3.53 Å. Dy is bonded to six equivalent Ho and six equivalent Dy atoms to form DyDy6Ho6 cuboctahedra that share corners with eighteen equivalent DyDy6Ho6 cuboctahedra, edges with six equivalent DyDy6Ho6 cuboctahedra, edges with twelve equivalent HoDy6Ho6 cuboctahedra, faces with eight equivalent DyDy6Ho6 cuboctahedra, and faces with twelve equivalent HoDy6Ho6 cuboctahedra. All Dy–Dy bond lengths are 3.60 Å.
DOI: 10.17188/1746301
title: Materials Data on NiPNO10 by Materials Project

description: NiO4PO3NOO2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is one-dimensional and consists of two nitroxyl molecules; two oxygen molecules; two phosphonic acid molecules; and two NiO4 ribbons oriented in the (1, 0, 0) direction. In each NiO4 ribbon, Ni is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Ni–O bond distances ranging from 1.69–1.96 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ni atom. In the second O site, O is bonded in a water-like geometry to one Ni and one O atom. The O–O bond length is 1.30 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Ni and one O atom.
DOI: 10.17188/1746303
title: Materials Data on FeC7(O2F)2 by Materials Project

description: Fe(CO)4C(CF)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen fluoromethane molecules, eight methane molecules, and eight Fe(CO)4 clusters. In four of the Fe(CO)4 clusters, Fe3+ is bonded in a distorted rectangular see-saw-like geometry to four C1+ atoms. There is one shorter (1.80 Å) and three longer (1.82 Å) Fe–C bond length. There are four inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C1+ site, C1+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C1+ site, C1+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the fourth C1+ site, C1+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In four of the Fe(CO)4 clusters, Fe3+ is bonded in a distorted rectangular see-saw-like geometry to four C1+ atoms. There is one shorter (1.80 Å) and three longer (1.82 Å) Fe–C bond length. There are four inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C1+ site, C1+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C1+ site, C1+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the fourth C1+ site, C1+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C1+ atom.
DOI: 10.17188/1746304
title: Materials Data on NdCrO5 by Materials Project

description: NdCrO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.36–2.64 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.57 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.64–1.70 Å. In the second Cr site, Cr is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.65 Å) and two longer (1.69 Å) Cr–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Nd and one Cr atom. In the second O site, O is bonded in a distorted single-bond geometry to two Nd and one Cr atom. In the third O site, O is bonded in a distorted single-bond geometry to one Nd and one Cr atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one Cr atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two Nd and one Cr atom. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to three Nd atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Nd and one Cr atom. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Nd atoms. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Nd and one Cr atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one Cr atom.
DOI: 10.17188/1746305
title: Materials Data on In(Ni11B3)2 by Materials Project

description: In(Ni11B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted trigonal non-coplanar geometry to one Ni and three equivalent B atoms. The Ni–Ni bond length is 2.41 Å. All Ni–B bond lengths are 2.09 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one In and two equivalent B atoms. The Ni–In bond length is 2.56 Å. Both Ni–B bond lengths are 2.11 Å. In the third Ni site, Ni is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. In is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.
DOI: 10.17188/1746306
title: Materials Data on Si2O3 by Materials Project

description: Si2O3 is beta Sn structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hydridospherosiloxane molecules. there are five inequivalent Si sites. In the first Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. All Si–O bond lengths are 1.65 Å. In the second Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is one shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. In the third Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. In the fourth Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is two shorter (1.65 Å) and one longer (1.66 Å) Si–O bond length. In the fifth Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is two shorter (1.64 Å) and one longer (1.65 Å) Si–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to two Si atoms.