cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1281506
title: Materials Data on PbN6 by Materials Project

description: Pb(N3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Pb–N bond distances ranging from 2.58–2.98 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Pb–N bond distances ranging from 2.61–3.01 Å. There are eleven inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.17 Å) and one longer (1.20 Å) N–N bond length. In the second N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one N+0.33- atom. The N–N bond length is 1.18 Å. In the third N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one N+0.33- atom. In the fourth N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to three Pb2+ and one N+0.33- atom. The N–N bond length is 1.20 Å. In the fifth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one N+0.33- atom. The N–N bond length is 1.18 Å. In the sixth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.17 Å. In the seventh N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two Pb2+ and one N+0.33- atom. The N–N bond length is 1.19 Å. In the eighth N+0.33- site, N+0.33- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and one N+0.33- atom. In the ninth N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. In the tenth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one N+0.33- atom. In the eleventh N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms.
DOI: 10.17188/1281507
title: Materials Data on Bi12PbO20 by Materials Project

description: PbBi12O20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Pb4+ is bonded to four equivalent O2- atoms to form PbO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Pb–O bond lengths are 2.11 Å. Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one PbO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.60 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded to one Pb4+ and three equivalent Bi3+ atoms to form corner-sharing OBi3Pb tetrahedra.
DOI: 10.17188/1281508
title: Materials Data on Re2(HgO2)5 by Materials Project

description: Re2(HgO2)5 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Re2(HgO2)5 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Re5+ sites. In the first Re5+ site, Re5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.75–1.77 Å. In the second Re5+ site, Re5+ is bonded in a tetrahedral geometry to four O2- atoms. All Re–O bond lengths are 1.76 Å. There are five inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Hg–O bond distances ranging from 2.27–2.93 Å. In the second Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.16 Å. In the third Hg2+ site, Hg2+ is bonded in a distorted single-bond geometry to one O2- atom. The Hg–O bond length is 2.19 Å. In the fourth Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two O2- atoms. Both Hg–O bond lengths are 2.07 Å. In the fifth Hg2+ site, Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.32–2.65 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Re5+ and one Hg2+ atom. In the fourth O2- site, O2- is bonded to four Hg2+ atoms to form a mixture of corner and edge-sharing OHg4 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Re5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Re5+ and one Hg2+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Re5+ and one Hg2+ atom. In the eighth O2- site, O2- is bonded to four Hg2+ atoms to form a mixture of distorted corner and edge-sharing OHg4 tetrahedra. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Re5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Re5+ and one Hg2+ atom.
DOI: 10.17188/1281509
title: Materials Data on Rb3Nb5P2O19 by Materials Project

description: Rb3Nb5P2O19 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.47 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 3.03–3.55 Å. There are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent NbO6 octahedra and corners with three equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are three shorter (1.92 Å) and three longer (2.14 Å) Nb–O bond lengths. In the second Nb5+ site, Nb5+ is bonded to six equivalent O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Nb–O bond lengths are 1.99 Å. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with five NbO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–43°. There are a spread of Nb–O bond distances ranging from 1.89–2.17 Å. In the fourth Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four NbO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 35–42°. There are a spread of Nb–O bond distances ranging from 1.91–2.17 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four NbO6 octahedra. The corner-sharing octahedra tilt angles range from 11–50°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Nb5+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+ and two Nb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Rb1+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two equivalent Nb5+ atoms. In the sixth O2- site, O2- is bonded in a distorted linear geometry to one Nb5+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Nb5+, and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted linear geometry to one Rb1+, one Nb5+, and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two Nb5+ atoms.
DOI: 10.17188/1281510
title: Materials Data on NbTl2PO6 by Materials Project

description: NbTl2PO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with three PO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Nb–O bond distances ranging from 1.81–2.29 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.71–3.40 Å. In the second Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.73–3.32 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There is one shorter (1.52 Å) and three longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There is one shorter (1.55 Å) and three longer (1.56 Å) P–O bond length. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There is one shorter (1.53 Å) and three longer (1.57 Å) P–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ and two Tl1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Tl1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Nb5+, three equivalent Tl1+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to three equivalent Tl1+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Nb5+ and four equivalent Tl1+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Nb5+, two equivalent Tl1+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to three equivalent Tl1+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Nb5+, two equivalent Tl1+, and one P5+ atom.
DOI: 10.17188/1281512
title: Materials Data on Rb3Ce2(NO3)9 by Materials Project

description: Rb3Ce2(NO3)9 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.35 Å. Ce3+ is bonded to twelve O2- atoms to form distorted corner-sharing CeO12 cuboctahedra. There are a spread of Ce–O bond distances ranging from 2.59–2.78 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Rb1+, one Ce3+, and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Ce3+, and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Ce3+, and one N5+ atom.
DOI: 10.17188/1281513
title: Materials Data on PRuC4(OF)3 by Materials Project

description: Ru(CO)3F3CP crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen trifluoromethylphosphine molecules and sixteen Ru(CO)3 clusters. In each Ru(CO)3 cluster, Ru4+ is bonded in a distorted T-shaped geometry to three C atoms. There is two shorter (1.94 Å) and one longer (1.95 Å) Ru–C bond length. There are three inequivalent C sites. In the first C site, C is bonded in a distorted linear geometry to one Ru4+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C site, C is bonded in a distorted linear geometry to one Ru4+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C site, C is bonded in a distorted linear geometry to one Ru4+ and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C atom.
DOI: 10.17188/1281514
title: Materials Data on CsSbOF4 by Materials Project

description: CsSbOF4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to one O2- and eight F1- atoms. The Cs–O bond length is 3.35 Å. There are a spread of Cs–F bond distances ranging from 3.17–3.42 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cs–F bond distances ranging from 3.18–3.27 Å. In the third Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to two equivalent O2- and six F1- atoms. Both Cs–O bond lengths are 3.21 Å. There are a spread of Cs–F bond distances ranging from 3.14–3.36 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to two O2- and four F1- atoms to form corner-sharing SbO2F4 octahedra. The corner-sharing octahedra tilt angles range from 46–48°. There is one shorter (1.95 Å) and one longer (1.96 Å) Sb–O bond length. There are a spread of Sb–F bond distances ranging from 1.94–1.96 Å. In the second Sb5+ site, Sb5+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing SbO2F4 octahedra. The corner-sharing octahedral tilt angles are 46°. Both Sb–O bond lengths are 1.96 Å. There are a spread of Sb–F bond distances ranging from 1.94–1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two equivalent Sb5+ atoms. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Cs1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to three Cs1+ and one Sb5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to three Cs1+ and one Sb5+ atom.
DOI: 10.17188/1281515
title: Materials Data on Ce3NCl6 by Materials Project

description: Ce3NCl6 is Zircon-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 1-coordinate geometry to one N3- and seven Cl1- atoms. The Ce–N bond length is 2.26 Å. There are a spread of Ce–Cl bond distances ranging from 2.81–3.12 Å. In the second Ce3+ site, Ce3+ is bonded in a 1-coordinate geometry to one N3- and seven Cl1- atoms. The Ce–N bond length is 2.31 Å. There are a spread of Ce–Cl bond distances ranging from 2.82–3.38 Å. In the third Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to two equivalent N3- and six Cl1- atoms. There are one shorter (2.37 Å) and one longer (2.38 Å) Ce–N bond lengths. There are a spread of Ce–Cl bond distances ranging from 2.78–3.19 Å. N3- is bonded to four Ce3+ atoms to form NCe4 tetrahedra that share corners with three equivalent ClCe4 tetrahedra, an edgeedge with one NCe4 tetrahedra, and an edgeedge with one ClCe4 tetrahedra. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Ce3+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three Ce3+ atoms. In the third Cl1- site, Cl1- is bonded to four Ce3+ atoms to form distorted ClCe4 tetrahedra that share corners with three equivalent NCe4 tetrahedra, an edgeedge with one NCe4 tetrahedra, and an edgeedge with one ClCe4 tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Ce3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Ce3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to four Ce3+ atoms.
DOI: 10.17188/1281517
title: Materials Data on PRu5C16(O5F)3 by Materials Project

description: (Ru)5P(CO)15CF3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules, sixty formaldehyde molecules, four phosphine molecules, and twenty ruthenium molecules.
DOI: 10.17188/1281527
title: Materials Data on Rb3Nd2(NO3)9 by Materials Project

description: Rb3Nd2(NO3)9 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.34 Å. Nd3+ is bonded to twelve O2- atoms to form distorted corner-sharing NdO12 cuboctahedra. There are a spread of Nd–O bond distances ranging from 2.58–2.77 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.28 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Nd3+, and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Nd3+, and one N5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Rb1+, one Nd3+, and one N5+ atom.
DOI: 10.17188/1281529
title: Materials Data on SiO2 by Materials Project

description: SiO2 is Low Tridymite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are seven inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.62 Å) and one longer (1.63 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.62 Å) and one longer (1.63 Å) Si–O bond length. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. In the fifth Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.62 Å) and one longer (1.64 Å) Si–O bond length. In the sixth Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. In the seventh Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the thirteenth O2- site, O2- is bonded in a linear geometry to two Si4+ atoms. In the fourteenth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the fifteenth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the sixteenth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the seventeenth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the eighteenth O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.