cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1197142
title: Materials Data on Cu4P2O9 by Materials Project

description: Cu4O(PO4)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to five O2- atoms to form CuO5 trigonal bipyramids that share corners with two equivalent CuO5 square pyramids, corners with four PO4 tetrahedra, edges with two equivalent CuO5 square pyramids, and an edgeedge with one CuO5 trigonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.95–2.28 Å. In the second Cu2+ site, Cu2+ is bonded to five O2- atoms to form distorted CuO5 trigonal bipyramids that share corners with four PO4 tetrahedra, edges with two equivalent CuO5 square pyramids, and an edgeedge with one CuO5 trigonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.86–2.20 Å. In the third Cu2+ site, Cu2+ is bonded to five O2- atoms to form distorted CuO5 square pyramids that share a cornercorner with one CuO5 square pyramid, corners with four PO4 tetrahedra, a cornercorner with one CuO5 trigonal bipyramid, an edgeedge with one CuO5 square pyramid, and edges with two CuO5 trigonal bipyramids. There are a spread of Cu–O bond distances ranging from 1.91–2.43 Å. 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 equivalent CuO5 square pyramids and corners with four CuO5 trigonal bipyramids. There is one shorter (1.51 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 four equivalent CuO5 square pyramids and corners with four CuO5 trigonal bipyramids. There is three shorter (1.55 Å) and one longer (1.58 Å) P–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Cu2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Cu2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Cu2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Cu2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a tetrahedral geometry to four Cu2+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Cu2+ and one P5+ atom.
DOI: 10.17188/1197143
title: Materials Data on Sr(InSe2)2 by Materials Project

description: SrIn2Se4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.36 Å) Sr–Se bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.27 Å) and four longer (3.38 Å) Sr–Se bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.26–3.41 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.59–2.66 Å. In the second In3+ site, In3+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.59–2.66 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two Sr2+ and two In3+ atoms to form a mixture of distorted corner and edge-sharing SeSr2In2 trigonal pyramids. In the second Se2- site, Se2- is bonded to two Sr2+ and two In3+ atoms to form a mixture of distorted corner and edge-sharing SeSr2In2 trigonal pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent In3+ atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent In3+ atoms.
DOI: 10.17188/1197144
title: Materials Data on ScCoGe2 by Materials Project

description: ScCoGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 7-coordinate geometry to two equivalent Co and seven Ge atoms. Both Sc–Co bond lengths are 3.07 Å. There are a spread of Sc–Ge bond distances ranging from 2.74–2.93 Å. In the second Sc site, Sc is bonded in a 8-coordinate geometry to four Co and eight Ge atoms. There are a spread of Sc–Co bond distances ranging from 3.01–3.15 Å. There are a spread of Sc–Ge bond distances ranging from 2.70–2.98 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to four Sc, two equivalent Co, and six Ge atoms to form a mixture of distorted edge and face-sharing CoSc4Co2Ge6 cuboctahedra. Both Co–Co bond lengths are 2.70 Å. There are two shorter (2.46 Å) and four longer (2.52 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sc, one Co, and six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.37–2.56 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Sc and four Co atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Sc, three Co, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Sc and four Co atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sc, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the fifth Ge site, Ge is bonded in a 10-coordinate geometry to six Sc and two equivalent Co atoms.
DOI: 10.17188/1197146
title: Materials Data on Ba5AlIr2O11 by Materials Project

description: Ba5Ir2AlO11 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.06 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.56–3.11 Å. In the third Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.61–3.17 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.80–3.13 Å. In the fifth Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.72–2.93 Å. There are two inequivalent Ir+4.50+ sites. In the first Ir+4.50+ site, Ir+4.50+ is bonded to six O2- atoms to form face-sharing IrO6 octahedra. There are a spread of Ir–O bond distances ranging from 1.96–2.10 Å. In the second Ir+4.50+ site, Ir+4.50+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with two equivalent AlO4 tetrahedra and a faceface with one IrO6 octahedra. There are a spread of Ir–O bond distances ranging from 1.96–2.08 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with two equivalent IrO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Al–O bond distances ranging from 1.75–1.78 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ba2+ and two Ir+4.50+ atoms to form distorted OBa4Ir2 octahedra that share corners with two equivalent OBa4Ir2 octahedra, a cornercorner with one OBa4Ir square pyramid, and edges with two equivalent OBa4Ir2 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Ir+4.50+, and one Al3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Ba2+ and one Al3+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two Ir+4.50+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to four Ba2+ and one Al3+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to five Ba2+ and one Ir+4.50+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to four Ba2+ and one Ir+4.50+ atom. In the eighth O2- site, O2- is bonded to four Ba2+ and one Ir+4.50+ atom to form distorted OBa4Ir square pyramids that share a cornercorner with one OBa4Ir2 octahedra and corners with two equivalent OBa4Ir square pyramids. The corner-sharing octahedral tilt angles are 3°.
DOI: 10.17188/1197147
title: Materials Data on TbSi3Rh5 by Materials Project

description: TbRh5Si3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six Rh and six Si atoms. There are two shorter (3.07 Å) and four longer (3.13 Å) Tb–Rh bond lengths. There are a spread of Tb–Si bond distances ranging from 3.07–3.11 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si atoms. There are one shorter (2.34 Å) and two longer (2.50 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tb and four Si atoms. There are two shorter (2.40 Å) and two longer (2.48 Å) Rh–Si bond lengths. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tb and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.41–2.50 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tb and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.42–2.51 Å. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are one shorter (2.37 Å) and four longer (2.52 Å) Rh–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to two equivalent Tb and six Rh atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Tb and seven Rh atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Tb and seven Rh atoms.
DOI: 10.17188/1197148
title: Materials Data on TlF by Materials Project

description: TlF is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tl1+ is bonded to six equivalent F1- atoms to form a mixture of corner and edge-sharing TlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.84 Å. F1- is bonded to six equivalent Tl1+ atoms to form a mixture of corner and edge-sharing FTl6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1197149
title: Materials Data on Lu3Ge13Rh4 by Materials Project

description: Lu3Rh4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to four equivalent Rh and twelve equivalent Ge atoms. All Lu–Rh bond lengths are 3.18 Å. There are eight shorter (3.11 Å) and four longer (3.23 Å) Lu–Ge bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Lu and six equivalent Ge atoms. All Rh–Ge bond lengths are 2.49 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms. All Ge–Ge bond lengths are 3.08 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Lu, two equivalent Rh, and one Ge atom.
DOI: 10.17188/1197150
title: Materials Data on Nb3InSe12 by Materials Project

description: Nb3InSe12 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a 8-coordinate geometry to eight Se+1.50- atoms. There are four shorter (2.66 Å) and four longer (2.75 Å) Nb–Se bond lengths. In the second Nb5+ site, Nb5+ is bonded in a 8-coordinate geometry to eight Se+1.50- atoms. There are a spread of Nb–Se bond distances ranging from 2.63–2.78 Å. In3+ is bonded in a rectangular see-saw-like geometry to four equivalent Se+1.50- atoms. All In–Se bond lengths are 2.93 Å. There are four inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 3-coordinate geometry to two Nb5+ and one In3+ atom. In the second Se+1.50- site, Se+1.50- is bonded in a 2-coordinate geometry to two Nb5+ atoms. In the third Se+1.50- site, Se+1.50- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one Se+1.50- atom. The Se–Se bond length is 2.37 Å. In the fourth Se+1.50- site, Se+1.50- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one Se+1.50- atom.
DOI: 10.17188/1197151
title: Materials Data on Sr(In4Rh)2 by Materials Project

description: Sr(RhIn4)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to thirteen In atoms. There are a spread of Sr–In bond distances ranging from 3.45–3.83 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Rh–In bond distances ranging from 2.69–2.98 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Rh–In bond distances ranging from 2.65–2.93 Å. There are nine inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Sr, two equivalent Rh, and eight In atoms. There are a spread of In–In bond distances ranging from 3.14–3.36 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Sr, two equivalent Rh, and one In atom. The In–In bond length is 2.95 Å. In the third In site, In is bonded in a 2-coordinate geometry to two equivalent Sr, two equivalent Rh, and one In atom. In the fourth In site, In is bonded in a 4-coordinate geometry to four equivalent Rh atoms. In the fifth In site, In is bonded in a 2-coordinate geometry to two equivalent Sr, two equivalent Rh, and one In atom. In the sixth In site, In is bonded in a 1-coordinate geometry to three Rh atoms. In the seventh In site, In is bonded in a 2-coordinate geometry to two equivalent Sr, two equivalent Rh, and three In atoms. In the eighth In site, In is bonded in a distorted linear geometry to two equivalent Sr, two Rh, and two equivalent In atoms. In the ninth In site, In is bonded in a distorted linear geometry to two equivalent Sr, two equivalent Rh, and four equivalent In atoms.
DOI: 10.17188/1197152
title: Materials Data on Eu3Al5O12 by Materials Project

description: Eu3Al5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Eu3+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.38 Å) and four longer (2.53 Å) Eu–O bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. All Al–O bond lengths are 1.79 Å. In the second Al3+ site, Al3+ is bonded to six equivalent O2- atoms to form corner-sharing AlO6 octahedra. All Al–O bond lengths are 1.95 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two Al3+ atoms.
DOI: 10.17188/1197153
title: Materials Data on ZnTe by Materials Project

description: ZnTe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Te2- atoms to form corner-sharing ZnTe4 tetrahedra. All Zn–Te bond lengths are 2.68 Å. Te2- is bonded to four equivalent Zn2+ atoms to form corner-sharing TeZn4 tetrahedra.
DOI: 10.17188/1197155
title: Materials Data on Nd(Cu2P)2 by Materials Project

description: NdCu4P2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded in a 6-coordinate geometry to six P3- atoms. There are a spread of Nd–P bond distances ranging from 2.92–3.05 Å. In the second Nd2+ site, Nd2+ is bonded to six P3- atoms to form NdP6 octahedra that share corners with six equivalent CuP4 tetrahedra, edges with two equivalent NdP6 octahedra, and edges with four equivalent CuP4 tetrahedra. There are two shorter (2.95 Å) and four longer (2.96 Å) Nd–P bond lengths. There are six inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 2-coordinate geometry to two equivalent P3- atoms. Both Cu–P bond lengths are 2.44 Å. In the second Cu1+ site, Cu1+ is bonded in a water-like geometry to two P3- atoms. Both Cu–P bond lengths are 2.39 Å. In the third Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are two shorter (2.39 Å) and one longer (2.46 Å) Cu–P bond lengths. In the fourth Cu1+ site, Cu1+ is bonded to four P3- atoms to form CuP4 tetrahedra that share corners with three CuP4 tetrahedra, edges with two equivalent NdP6 octahedra, and edges with two equivalent CuP4 tetrahedra. There are a spread of Cu–P bond distances ranging from 2.42–2.50 Å. In the fifth Cu1+ site, Cu1+ is bonded to four P3- atoms to form distorted CuP4 tetrahedra that share corners with three equivalent NdP6 octahedra, corners with three CuP4 tetrahedra, and edges with two equivalent CuP4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–60°. There are a spread of Cu–P bond distances ranging from 2.32–2.61 Å. In the sixth Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are one shorter (2.31 Å) and two longer (2.39 Å) Cu–P bond lengths. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to three Nd2+ and six Cu1+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Nd2+ and seven Cu1+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to four Nd2+ and five Cu1+ atoms.
DOI: 10.17188/1197156
title: Materials Data on Pd17Se15 by Materials Project

description: Pd17Se15 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four Se atoms. There are one shorter (2.46 Å) and three longer (2.54 Å) Pd–Se bond lengths. In the second Pd site, Pd is bonded in an octahedral geometry to six equivalent Se atoms. All Pd–Se bond lengths are 2.59 Å. In the third Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to one Pd and four equivalent Se atoms. The Pd–Pd bond length is 2.80 Å. All Pd–Se bond lengths are 2.48 Å. In the fourth Pd site, Pd is bonded to two equivalent Pd and four equivalent Se atoms to form distorted PdPd2Se4 octahedra that share corners with eight equivalent SePd4 tetrahedra. All Pd–Se bond lengths are 2.58 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded in a 5-coordinate geometry to five Pd atoms. In the second Se site, Se is bonded to four Pd atoms to form distorted SePd4 tetrahedra that share corners with two equivalent PdPd2Se4 octahedra and corners with six equivalent SePd4 tetrahedra. The corner-sharing octahedral tilt angles are 88°. In the third Se site, Se is bonded in a 5-coordinate geometry to five Pd atoms.
DOI: 10.17188/1197157
title: Materials Data on Ba(InSe2)2 by Materials Project

description: BaIn2Se4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.41–3.50 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.42 Å) and four longer (3.48 Å) Ba–Se bond lengths. In the third Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.43 Å) and four longer (3.47 Å) Ba–Se bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.59–2.66 Å. In the second In3+ site, In3+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.59–2.66 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two Ba2+ and two In3+ atoms to form a mixture of distorted edge and corner-sharing SeBa2In2 trigonal pyramids. In the second Se2- site, Se2- is bonded to two Ba2+ and two In3+ atoms to form a mixture of distorted edge and corner-sharing SeBa2In2 trigonal pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two Ba2+ and two equivalent In3+ atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to two Ba2+ and two equivalent In3+ atoms.
DOI: 10.17188/1197158
title: Materials Data on Si2Pb3O7 by Materials Project

description: Pb3Si2O7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six equivalent O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra. All Pb–O bond lengths are 2.52 Å. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. All Pb–O bond lengths are 2.65 Å. In the third Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.22–2.93 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one PbO6 pentagonal pyramid and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Si4+ atom.