cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1271538
title: Materials Data on TeC4(ClF3)2 by Materials Project

description: (CF2)2C2Te(ClF)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight difluoromethane molecules and four C2Te(ClF)2 clusters. In each C2Te(ClF)2 cluster, C+2.50+ is bonded in a distorted single-bond geometry to one Te2- and one F1- atom. The C–Te bond length is 2.14 Å. The C–F bond length is 1.35 Å. Te2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent C+2.50+ and two equivalent Cl1- atoms. Both Te–Cl bond lengths are 2.53 Å. Cl1- is bonded in a distorted single-bond geometry to one Te2- atom. F1- is bonded in a single-bond geometry to one C+2.50+ atom.
DOI: 10.17188/1271539
title: Materials Data on CdSiO3 by Materials Project

description: CdSiO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with six SiO4 tetrahedra and edges with six CdO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.34–2.42 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with five SiO4 tetrahedra, edges with four CdO6 octahedra, and an edgeedge with one SiO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.21–2.56 Å. In the third Cd2+ site, Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with five SiO4 tetrahedra, edges with four CdO6 octahedra, and an edgeedge with one SiO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.27–2.50 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six CdO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–75°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six CdO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–74°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four CdO6 octahedra, corners with two SiO4 tetrahedra, and edges with two CdO6 octahedra. The corner-sharing octahedra tilt angles range from 14–69°. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cd2+ and two Si4+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Cd2+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cd2+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Cd2+ and two Si4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cd2+ and one Si4+ atom. In the ninth O2- site, O2- is bonded to three Cd2+ and one Si4+ atom to form distorted corner-sharing OCd3Si tetrahedra.
DOI: 10.17188/1271540
title: Materials Data on Cu2SeO4 by Materials Project

description: Cu2OSeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.98–2.53 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.92 Å) and two longer (1.98 Å) Cu–O bond length. In the third Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Cu–O bond length. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.77 Å) Se–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Cu2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Se4+ atom. In the third O2- site, O2- is bonded to four Cu2+ atoms to form corner-sharing OCu4 tetrahedra. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Cu2+ and one Se4+ atom.
DOI: 10.17188/1271541
title: Materials Data on Rb2CrF6 by Materials Project

description: Rb2CrF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with four equivalent CrF6 octahedra. All Rb–F bond lengths are 3.10 Å. Cr4+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share faces with eight equivalent RbF12 cuboctahedra. All Cr–F bond lengths are 1.87 Å. F1- is bonded in a single-bond geometry to four equivalent Rb1+ and one Cr4+ atom.
DOI: 10.17188/1271542
title: Materials Data on K3(PdO2)2 by Materials Project

description: K3Pd2O4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six equivalent O atoms. There are a spread of K–O bond distances ranging from 2.83–2.92 Å. In the second K site, K is bonded in a 4-coordinate geometry to four equivalent O atoms. All K–O bond lengths are 2.67 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent O atoms. All Pd–O bond lengths are 2.04 Å. In the second Pd site, Pd is bonded in a square co-planar geometry to four equivalent O atoms. All Pd–O bond lengths are 2.02 Å. O is bonded to four K and two Pd atoms to form a mixture of distorted corner, edge, and face-sharing OK4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–71°.
DOI: 10.17188/1271543
title: Materials Data on Ti6In2Si2P12O49 by Materials Project

description: Ti6In2Si2P12O49 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.93 Å) and three longer (1.98 Å) Ti–O bond length. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.90 Å) and three longer (2.00 Å) Ti–O bond length. In the third Ti4+ site, Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with six PO4 tetrahedra and a faceface with one InO6 octahedra. There are three shorter (1.85 Å) and three longer (2.15 Å) Ti–O bond lengths. In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share corners with six equivalent PO4 tetrahedra and a faceface with one TiO6 octahedra. There are three shorter (2.11 Å) and three longer (2.25 Å) In–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three equivalent PO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.63 Å) Si–O bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four TiO6 octahedra. The corner-sharing octahedra tilt angles range from 25–32°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two TiO6 octahedra, corners with two equivalent InO6 octahedra, and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–48°. There are a spread of P–O bond distances ranging from 1.51–1.59 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Si4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one In3+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+, one In3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one Ti4+ and one P5+ atom. 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 one Ti4+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom.
DOI: 10.17188/1271544
title: Materials Data on KPrPdO3 by Materials Project

description: KPrPdO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.03 Å. Pr3+ is bonded to seven O2- atoms to form distorted edge-sharing PrO7 hexagonal pyramids. There are a spread of Pr–O bond distances ranging from 2.38–2.62 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pd–O bond distances ranging from 2.01–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent K1+, three equivalent Pr3+, and one Pd2+ atom to form distorted OK2Pr3Pd octahedra that share corners with five equivalent OK3Pr2Pd octahedra and edges with eight OK2Pr3Pd octahedra. The corner-sharing octahedra tilt angles range from 7–8°. In the second O2- site, O2- is bonded to three equivalent K1+, two equivalent Pr3+, and one Pd2+ atom to form a mixture of distorted edge and corner-sharing OK3Pr2Pd octahedra. The corner-sharing octahedra tilt angles range from 7–8°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Pr3+, and two equivalent Pd2+ atoms.
DOI: 10.17188/1271545
title: Materials Data on Rb2NaAl6F21 by Materials Project

description: Rb2NaAl6F21 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Rb–F bond distances ranging from 2.90–3.39 Å. Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with six AlF6 octahedra. The corner-sharing octahedra tilt angles range from 56–63°. There are a spread of Na–F bond distances ranging from 2.32–2.37 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share a cornercorner with one NaF6 octahedra and corners with five AlF6 octahedra. The corner-sharing octahedra tilt angles range from 11–63°. There are a spread of Al–F bond distances ranging from 1.77–1.85 Å. In the second Al3+ site, Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share a cornercorner with one NaF6 octahedra and corners with five AlF6 octahedra. The corner-sharing octahedra tilt angles range from 11–56°. There are a spread of Al–F bond distances ranging from 1.76–1.85 Å. In the third Al3+ site, Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share a cornercorner with one NaF6 octahedra and corners with five AlF6 octahedra. The corner-sharing octahedra tilt angles range from 14–60°. There are a spread of Al–F bond distances ranging from 1.77–1.85 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Na1+, and one Al3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Rb1+ and two Al3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Rb1+ and two Al3+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two Al3+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Rb1+ and two Al3+ atoms. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Na1+, and one Al3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Rb1+ and two Al3+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to one Rb1+ and two Al3+ atoms. In the ninth F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the tenth F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Na1+, and one Al3+ atom. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Rb1+ and two Al3+ atoms.
DOI: 10.17188/1271546
title: Materials Data on LaPS4 by Materials Project

description: LaPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to eight S2- atoms to form distorted LaS8 hexagonal bipyramids that share edges with four equivalent PS4 tetrahedra. There are four shorter (3.01 Å) and four longer (3.04 Å) La–S bond lengths. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.98 Å) and four longer (3.09 Å) La–S bond lengths. P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two equivalent LaS8 hexagonal bipyramids. All P–S bond lengths are 2.05 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two La3+ and one P5+ atom. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to two La3+ and one P5+ atom.
DOI: 10.17188/1271547
title: Materials Data on Al(HO)3 by Materials Project

description: Al(OH)3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two Al(OH)3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–1.94 Å. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.90–1.97 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Al3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Al3+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Al3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Al3+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Al3+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Al3+ and one H1+ atom.
DOI: 10.17188/1271548
title: Materials Data on Hg2C2N2O by Materials Project

description: Hg2C2N2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to one C2+, four N3-, and one O2- atom to form distorted HgCN4O octahedra that share corners with three equivalent HgCO3 tetrahedra and edges with two equivalent HgCN4O octahedra. The Hg–C bond length is 2.04 Å. There are two shorter (2.97 Å) and two longer (3.06 Å) Hg–N bond lengths. The Hg–O bond length is 2.05 Å. In the second Hg2+ site, Hg2+ is bonded to one C2+ and three equivalent O2- atoms to form distorted HgCO3 tetrahedra that share corners with three equivalent HgCN4O octahedra, corners with two equivalent HgCO3 tetrahedra, and edges with two equivalent HgCO3 tetrahedra. The corner-sharing octahedra tilt angles range from 61–70°. The Hg–C bond length is 2.04 Å. There are one shorter (2.08 Å) and two longer (2.65 Å) Hg–O bond lengths. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a linear geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a linear geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one C2+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to two equivalent Hg2+ and one C2+ atom. O2- is bonded to four Hg2+ atoms to form a mixture of distorted edge and corner-sharing OHg4 tetrahedra.
DOI: 10.17188/1271549
title: Materials Data on BaCaCrF7 by Materials Project

description: BaCaCrF7 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.63–3.16 Å. There are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ca–F bond distances ranging from 2.26–2.50 Å. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ca–F bond distances ranging from 2.26–2.49 Å. Cr3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Cr–F bond distances ranging from 1.91–1.98 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Ba2+, two Ca2+, and one Cr3+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Ba2+ and two Ca2+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Cr3+ atom. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to one Ba2+, two Ca2+, and one Cr3+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Cr3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Cr3+ atom. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to two Ca2+ and one Cr3+ atom.
DOI: 10.17188/1271551
title: Materials Data on Na2MnCrF7 (SG:152) 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: 10.17188/1271552
title: Materials Data on Si2Ag6O7 by Materials Project

description: Ag6Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 tetrahedra that share a cornercorner with one AgO4 tetrahedra, corners with four SiO4 tetrahedra, a cornercorner with one AgO4 trigonal pyramid, and an edgeedge with one AgO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.33–2.57 Å. In the second Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share a cornercorner with one AgO4 tetrahedra, corners with four SiO4 tetrahedra, and an edgeedge with one AgO4 trigonal pyramid. There are a spread of Ag–O bond distances ranging from 2.27–2.51 Å. In the third Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.08 Å) and one longer (2.10 Å) Ag–O bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.22 Å) and one longer (2.28 Å) Ag–O bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.18–2.49 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AgO4 tetrahedra, corners with two SiO4 tetrahedra, and corners with two equivalent AgO4 trigonal pyramids. There is three shorter (1.64 Å) and one longer (1.66 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AgO4 tetrahedra and corners with four equivalent AgO4 trigonal pyramids. There is three shorter (1.66 Å) and one longer (1.68 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra, corners with four equivalent AgO4 tetrahedra, and corners with two equivalent AgO4 trigonal pyramids. There is three shorter (1.65 Å) and one longer (1.68 Å) Si–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Ag1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the fifth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form a mixture of distorted edge and corner-sharing OSiAg3 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Ag1+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Si4+ atoms.