cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1271140
title: Materials Data on U3O8 by Materials Project

description: U3O8 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent U+5.33+ sites. In the first U+5.33+ site, U+5.33+ is bonded to seven O2- atoms to form UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, corners with three equivalent UO7 pentagonal bipyramids, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 37–49°. There are a spread of U–O bond distances ranging from 2.08–2.49 Å. In the second U+5.33+ site, U+5.33+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra, corners with four UO7 pentagonal bipyramids, and edges with two UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of U–O bond distances ranging from 2.08–2.17 Å. In the third U+5.33+ site, U+5.33+ is bonded to seven O2- atoms to form UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, corners with three equivalent UO7 pentagonal bipyramids, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 37–49°. There are a spread of U–O bond distances ranging from 2.08–2.48 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two U+5.33+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two U+5.33+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent U+5.33+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three U+5.33+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three U+5.33+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three U+5.33+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three U+5.33+ atoms.
DOI: 10.17188/1271142
title: Materials Data on Sr3Ru2O7 by Materials Project

description: Sr3Ru2O7 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.93 Å. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.62–3.03 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with five equivalent RuO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are four shorter (2.00 Å) and two longer (2.03 Å) Ru–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Ru4+ atom to form a mixture of distorted edge and corner-sharing OSr5Ru octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ru4+ atoms to form distorted OSr4Ru2 octahedra that share corners with six OSr5Ru octahedra and edges with four equivalent OSr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1271143
title: Materials Data on V4S9Br4 by Materials Project

description: V4S9Br4 crystallizes in the tetragonal P4/nmm space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and two V4S9 clusters. In each V4S9 cluster, V4+ is bonded to five S2- atoms to form a mixture of face and corner-sharing VS5 trigonal bipyramids. There are a spread of V–S bond distances ranging from 2.36–2.39 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent V4+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent V4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent V4+ atoms.
DOI: 10.17188/1271144
title: Materials Data on Na17Al5O16 by Materials Project

description: Na17Al5O16 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are nine inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.61 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.69 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.68 Å. In the fourth Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.69 Å. In the fifth Na1+ site, Na1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–2.93 Å. In the sixth Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.76 Å. In the seventh Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.71 Å. In the eighth Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.24–2.44 Å. In the ninth Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.45–2.50 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is three shorter (1.78 Å) and one longer (1.82 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.80 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.80 Å) Al–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Al3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Al3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and two Al3+ atoms. In the fourth O2- site, O2- is bonded to four Na1+ and two Al3+ atoms to form distorted edge-sharing ONa4Al2 octahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one Al3+ atom. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Al3+ atom. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Al3+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one Al3+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one Al3+ atom.
DOI: 10.17188/1271145
title: Materials Data on P2NCl5O by Materials Project

description: P2NOCl5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen P2NOCl5 clusters. In four of the P2NOCl5 clusters, there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to one N3-, one O2-, and two Cl1- atoms to form corner-sharing PNCl2O tetrahedra. The P–N bond length is 1.61 Å. The P–O bond length is 1.48 Å. There are one shorter (2.03 Å) and one longer (2.04 Å) P–Cl bond lengths. In the second P5+ site, P5+ is bonded to one N3- and three Cl1- atoms to form corner-sharing PNCl3 tetrahedra. The P–N bond length is 1.54 Å. There are a spread of P–Cl bond distances ranging from 1.99–2.01 Å. N3- is bonded in a bent 150 degrees geometry to two P5+ atoms. O2- is bonded in a single-bond geometry to one P5+ atom. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In twelve of the P2NOCl5 clusters, there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to one N3-, one O2-, and two Cl1- atoms to form corner-sharing PNCl2O tetrahedra. The P–N bond length is 1.60 Å. The P–O bond length is 1.48 Å. Both P–Cl bond lengths are 2.04 Å. In the second P5+ site, P5+ is bonded to one N3- and three Cl1- atoms to form corner-sharing PNCl3 tetrahedra. The P–N bond length is 1.54 Å. There is one shorter (1.99 Å) and two longer (2.00 Å) P–Cl bond length. N3- is bonded in a bent 150 degrees geometry to two P5+ atoms. O2- is bonded in a single-bond geometry to one P5+ atom. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.
DOI: 10.17188/1271146
title: Materials Data on Ti2CuS4 by Materials Project

description: CuTi2S4 is Spinel-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ti+3.50+ sites. In the first Ti+3.50+ site, Ti+3.50+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with two equivalent TiS6 octahedra, corners with four CuS4 tetrahedra, edges with five TiS6 octahedra, and an edgeedge with one CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.45 Å) and four longer (2.47 Å) Ti–S bond lengths. In the second Ti+3.50+ site, Ti+3.50+ is bonded to six equivalent S2- atoms to form TiS6 octahedra that share corners with twelve equivalent TiS6 octahedra and corners with six equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. All Ti–S bond lengths are 2.47 Å. In the third Ti+3.50+ site, Ti+3.50+ is bonded to six equivalent S2- atoms to form TiS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with six equivalent TiS6 octahedra. All Ti–S bond lengths are 2.44 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with six TiS6 octahedra and edges with three equivalent TiS6 octahedra. The corner-sharing octahedra tilt angles range from 56–59°. There are one shorter (2.24 Å) and three longer (2.27 Å) Cu–S bond lengths. In the second Cu1+ site, Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with twelve TiS6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. All Cu–S bond lengths are 2.26 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ti+3.50+ and one Cu1+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ti+3.50+ and one Cu1+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ti+3.50+ and one Cu1+ atom. In the fourth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ti+3.50+ and one Cu1+ atom.
DOI: 10.17188/1271147
title: Materials Data on Nb(PS4)2 by Materials Project

description: P2NbS8 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two P2NbS8 sheets oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 8-coordinate geometry to eight S+1.88- atoms. There are a spread of Nb–S bond distances ranging from 2.52–2.68 Å. P5+ is bonded to four S+1.88- atoms to form edge-sharing PS4 tetrahedra. There are a spread of P–S bond distances ranging from 2.00–2.15 Å. There are five inequivalent S+1.88- sites. In the first S+1.88- site, S+1.88- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one S+1.88- atom. The S–S bond length is 2.02 Å. In the second S+1.88- site, S+1.88- is bonded in an L-shaped geometry to two equivalent P5+ atoms. In the third S+1.88- site, S+1.88- is bonded in an L-shaped geometry to one Nb5+ and one P5+ atom. In the fourth S+1.88- site, S+1.88- is bonded in an L-shaped geometry to one Nb5+ and one P5+ atom. In the fifth S+1.88- site, S+1.88- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one S+1.88- atom.
DOI: 10.17188/1271148
title: Materials Data on Tb2Cu(BO2)8 by Materials Project

description: Tb2Cu(BO2)8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.51 Å. Cu2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.97–2.44 Å. There are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.47–1.49 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.41 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one Cu2+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Tb3+ and one B3+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one Cu2+, and one B3+ atom.
DOI: 10.17188/1271149
title: Materials Data on SiO2 by Materials Project

description: SiO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.61 Å) and two longer (1.64 Å) Si–O bond length. There are two 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 bent 120 degrees geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1271150
title: Materials Data on Ba3Ta6Si4O23 by Materials Project

description: Ba3Si4Ta6O23 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.82–2.95 Å. Ta4+ is bonded to five O2- atoms to form TaO5 square pyramids that share corners with three equivalent TaO5 square pyramids and corners with two equivalent SiO4 tetrahedra. There are three shorter (1.95 Å) and two longer (2.06 Å) Ta–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent TaO5 square pyramids and a cornercorner with one SiO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.64 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+ and two equivalent Ta4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Ta4+, and one Si4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta4+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1271151
title: Materials Data on VF3 by Materials Project

description: VF3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. V3+ is bonded to six equivalent F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 30°. All V–F bond lengths are 1.98 Å. F1- is bonded in a bent 150 degrees geometry to two equivalent V3+ atoms.
DOI: 10.17188/1271152
title: Materials Data on KTeOF3 by Materials Project

description: KTeOF3 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent F1- atoms. All K–F bond lengths are 2.69 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.74 Å) and four longer (2.85 Å) K–F bond lengths. In the third K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to two equivalent O2- and six F1- atoms. Both K–O bond lengths are 2.82 Å. There are a spread of K–F bond distances ranging from 2.72–2.88 Å. Te4+ is bonded to two equivalent O2- and three F1- atoms to form edge-sharing TeO2F3 square pyramids. There are one shorter (1.93 Å) and one longer (2.09 Å) Te–O bond lengths. There are two shorter (2.04 Å) and one longer (2.11 Å) Te–F bond lengths. O2- is bonded in a 2-coordinate geometry to one K1+ and two equivalent Te4+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one K1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two K1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Te4+ atom.
DOI: 10.17188/1271153
title: Materials Data on Ba3In2Cl2O5 by Materials Project

description: Ba3In2O5Cl2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Ba–O bond lengths are 2.75 Å. There are four shorter (3.24 Å) and one longer (3.41 Å) Ba–Cl bond lengths. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, and faces with eight equivalent InClO5 square pyramids. There are four shorter (3.04 Å) and eight longer (3.22 Å) Ba–O bond lengths. In3+ is bonded to five O2- and one Cl1- atom to form distorted InClO5 square pyramids that share corners with five equivalent InClO5 square pyramids and faces with four equivalent BaO12 cuboctahedra. There are one shorter (2.10 Å) and four longer (2.17 Å) In–O bond lengths. The In–Cl bond length is 3.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded to four equivalent Ba2+ and two equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing OBa4In2 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a 6-coordinate geometry to five equivalent Ba2+ and one In3+ atom.
DOI: 10.17188/1271154
title: Materials Data on LiZnPO4 by Materials Project

description: LiZnPO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.99–2.03 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.98–2.00 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent ZnO4 tetrahedra. There is one shorter (1.55 Å) and three longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Li1+, one Zn2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Zn2+, and one P5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Zn2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Zn2+, and one P5+ atom.
DOI: 10.17188/1271155
title: Materials Data on UTe3Pb2O11 by Materials Project

description: UPb2Te3O11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.86–2.46 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.40–3.07 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.45–3.01 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.92 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.84 Å. In the third Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.91 Å) and one longer (1.92 Å) Te–O bond length. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one U6+, one Pb2+, and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one U6+, one Pb2+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Pb2+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one U6+, one Pb2+, and two Te4+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and two Pb2+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one U6+, one Pb2+, and one Te4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Te4+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb2+ and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one U6+ and one Pb2+ atom.