cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/j6h6n6
title: Synonymies, transferences and redescriptions in Neotropical Acanthocinini (Coleoptera, Cerambycidae, Lamiinae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Monné, Miguel A., Santos-Silva, Antonio (2020): Synonymies, transferences and redescriptions in Neotropical Acanthocinini (Coleoptera, Cerambycidae, Lamiinae). Zootaxa 4851 (3): 593-600, DOI: https://doi.org/10.11646/zootaxa.4851.3.9
DOI: 10.17188/1269053
title: Materials Data on NaSmGeO4 by Materials Project

description: NaSmGeO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with four equivalent SmO6 octahedra, corners with two equivalent GeO4 tetrahedra, edges with two equivalent NaO6 octahedra, edges with two equivalent SmO6 octahedra, and edges with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 61–67°. There are a spread of Na–O bond distances ranging from 2.44–2.56 Å. Sm3+ is bonded to six O2- atoms to form SmO6 octahedra that share corners with four equivalent NaO6 octahedra, corners with four equivalent SmO6 octahedra, corners with four equivalent GeO4 tetrahedra, edges with two equivalent NaO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–67°. There are a spread of Sm–O bond distances ranging from 2.29–2.43 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent SmO6 octahedra, an edgeedge with one SmO6 octahedra, and edges with two equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Na1+, one Sm3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+, two equivalent Sm3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Sm3+, and one Ge4+ atom.
DOI: 10.17188/1269054
title: Materials Data on Tb5Se2Cl3O10 by Materials Project

description: Tb5Se2O10Cl3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Tb+3.80+ sites. In the first Tb+3.80+ site, Tb+3.80+ is bonded in a 7-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Tb–O bond distances ranging from 2.26–2.63 Å. The Tb–Cl bond length is 2.86 Å. In the second Tb+3.80+ site, Tb+3.80+ is bonded in a 5-coordinate geometry to five O2- and three Cl1- atoms. There are a spread of Tb–O bond distances ranging from 2.21–2.40 Å. There are one shorter (2.88 Å) and two longer (3.09 Å) Tb–Cl bond lengths. In the third Tb+3.80+ site, Tb+3.80+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.50 Å) Tb–O bond lengths. Se2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.68 Å) and two longer (1.77 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Tb+3.80+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Tb+3.80+ and one Se2+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Tb+3.80+ and one Se2+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Tb+3.80+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Tb+3.80+ atoms.
DOI: 10.17188/1269056
title: Materials Data on TlAsF6 by Materials Project

description: TlAsF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with six equivalent AsF6 octahedra, edges with six equivalent TlF12 cuboctahedra, and faces with two equivalent AsF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are six shorter (3.06 Å) and six longer (3.21 Å) Tl–F bond lengths. As5+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent TlF12 cuboctahedra and faces with two equivalent TlF12 cuboctahedra. All As–F bond lengths are 1.78 Å. F1- is bonded in a single-bond geometry to two equivalent Tl1+ and one As5+ atom.
DOI: 10.17188/1269057
title: Materials Data on K2CaP2O7 by Materials Project

description: K2CaP2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.14 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.14 Å. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.32–2.42 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 three equivalent CaO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 8–46°. There is three shorter (1.53 Å) and one longer (1.66 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 CaO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–41°. There is three shorter (1.53 Å) and one longer (1.66 Å) P–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+, one Ca2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one Ca2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two P5+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+, one Ca2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one Ca2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent K1+, one Ca2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three K1+, one Ca2+, and one P5+ atom.
DOI: 10.17188/1269058
title: Materials Data on S by Materials Project

description: S is alpha-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four S clusters. there are eighteen inequivalent S sites. In the first S site, S is bonded in a water-like geometry to two S atoms. Both S–S bond lengths are 2.07 Å. In the second S site, S is bonded in a water-like geometry to two S atoms. Both S–S bond lengths are 2.07 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.06 Å. In the fourth S site, S is bonded in a water-like geometry to two S atoms. Both S–S bond lengths are 2.07 Å. In the fifth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the sixth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the seventh S site, S is bonded in a water-like geometry to two S atoms. Both S–S bond lengths are 2.07 Å. In the eighth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.06 Å. In the ninth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the tenth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the eleventh S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the twelfth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.06 Å. In the thirteenth S site, S is bonded in a water-like geometry to two S atoms. In the fourteenth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the fifteenth S site, S is bonded in a water-like geometry to two S atoms. In the sixteenth S site, S is bonded in a water-like geometry to two S atoms. In the seventeenth S site, S is bonded in a water-like geometry to two S atoms. In the eighteenth S site, S is bonded in a water-like geometry to two S atoms.
DOI: 10.17188/1269059
title: Materials Data on Hg2SeO3 by Materials Project

description: Hg2SeO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Hg1+ sites. In the first Hg1+ site, Hg1+ is bonded in a 1-coordinate geometry to one Hg1+ and five O2- atoms. The Hg–Hg bond length is 2.61 Å. There are a spread of Hg–O bond distances ranging from 2.25–3.13 Å. In the second Hg1+ site, Hg1+ is bonded in a 5-coordinate geometry to one Hg1+ and four O2- atoms. The Hg–Hg bond length is 2.61 Å. There are a spread of Hg–O bond distances ranging from 2.27–2.94 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.76 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Hg1+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Hg1+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Hg1+ and one Se4+ atom.
DOI: 10.17188/1269061
title: Materials Data on PH9AuC3ClO3 by Materials Project

description: AuC3PH9O3Cl crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight akos030621936 molecules. Au1- is bonded in a linear geometry to one P5+ and one Cl1- atom. The Au–P bond length is 2.24 Å. The Au–Cl bond length is 2.34 Å. There are three inequivalent C2- sites. In the first C2- site, C2- is bonded to three H1+ and one O2- atom to form CH3O tetrahedra that share a cornercorner with one PAuO3 tetrahedra. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.46 Å. In the second C2- site, C2- is bonded to three H1+ and one O2- atom to form CH3O tetrahedra that share a cornercorner with one PAuO3 tetrahedra. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.46 Å. In the third C2- site, C2- is bonded to three H1+ and one O2- atom to form CH3O tetrahedra that share a cornercorner with one PAuO3 tetrahedra. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–O bond length is 1.46 Å. P5+ is bonded to one Au1- and three O2- atoms to form distorted PAuO3 tetrahedra that share corners with three CH3O tetrahedra. There is two shorter (1.60 Å) and one longer (1.61 Å) P–O bond length. There are nine inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one C2- and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one C2- and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one C2- and one P5+ atom. Cl1- is bonded in a single-bond geometry to one Au1- atom.
DOI: 10.17188/1269063
title: Materials Data on RbEr3F10 by Materials Project

description: RbEr3F10 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted tetrahedral geometry to sixteen F1- atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to fifteen F1- atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.37 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.20–2.37 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.21–2.36 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Rb1+ and two equivalent Er3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Rb1+ and two equivalent Er3+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Rb1+ and two Er3+ atoms. In the fourth F1- site, F1- is bonded to one Rb1+ and three Er3+ atoms to form a mixture of distorted edge and corner-sharing FRbEr3 tetrahedra. In the fifth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Er3+ atoms. In the sixth F1- site, F1- is bonded to one Rb1+ and three equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing FRbEr3 tetrahedra. In the seventh F1- site, F1- is bonded to one Rb1+ and three Er3+ atoms to form a mixture of distorted edge and corner-sharing FRbEr3 tetrahedra.
DOI: 10.17188/1269064
title: Materials Data on Na2P2PbO7 by Materials Project

description: Na2PbP2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–3.01 Å. In the second 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 2.39–2.56 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–3.24 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.65 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.65 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Pb2+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Pb2+ and two P5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, two equivalent Pb2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+, one Pb2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+, one Pb2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+, one Pb2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one P5+ atom.
DOI: 10.17188/1269065
title: Materials Data on VF2 by Materials Project

description: VF2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. V2+ is bonded to six equivalent F1- atoms to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (2.12 Å) and four longer (2.14 Å) V–F bond lengths. F1- is bonded in a trigonal planar geometry to three equivalent V2+ atoms.
DOI: 10.17188/1269066
title: Materials Data on Ta2S by Materials Project

description: Ta2S crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are four inequivalent Ta sites. In the first Ta site, Ta is bonded to twelve Ta atoms to form TaTa12 cuboctahedra that share corners with two equivalent TaTa12 cuboctahedra, corners with two equivalent STa6 pentagonal pyramids, corners with six equivalent STa4 trigonal pyramids, edges with two equivalent STa6 pentagonal pyramids, edges with two equivalent STa4 trigonal pyramids, faces with two equivalent TaTa12 cuboctahedra, faces with two equivalent STa6 pentagonal pyramids, and faces with two equivalent STa4 trigonal pyramids. There are a spread of Ta–Ta bond distances ranging from 2.82–2.99 Å. In the second Ta site, Ta is bonded in a distorted T-shaped geometry to two equivalent Ta and three S atoms. There are a spread of Ta–S bond distances ranging from 2.46–2.59 Å. In the third Ta site, Ta is bonded in a 3-coordinate geometry to two equivalent Ta and three S atoms. There are a spread of Ta–S bond distances ranging from 2.46–2.63 Å. In the fourth Ta site, Ta is bonded in a bent 150 degrees geometry to two equivalent Ta and two equivalent S atoms. Both Ta–S bond lengths are 2.46 Å. There are two inequivalent S sites. In the first S site, S is bonded to four Ta atoms to form distorted STa4 trigonal pyramids that share corners with three equivalent TaTa12 cuboctahedra, corners with four equivalent STa6 pentagonal pyramids, corners with three equivalent STa4 trigonal pyramids, an edgeedge with one TaTa12 cuboctahedra, and a faceface with one TaTa12 cuboctahedra. In the second S site, S is bonded to six Ta atoms to form distorted STa6 pentagonal pyramids that share corners with two equivalent TaTa12 cuboctahedra, corners with eight equivalent STa4 trigonal pyramids, edges with two equivalent TaTa12 cuboctahedra, edges with two equivalent STa6 pentagonal pyramids, and faces with two equivalent TaTa12 cuboctahedra.
DOI: 10.17188/1269067
title: Materials Data on RbNa7(CoO3)2 (SG:12) 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: 10.17188/1269068
title: Materials Data on Ca3Cu3(AsO4)4 by Materials Project

description: Ca3Cu3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.83 Å. In the second Ca2+ site, Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six AsO4 tetrahedra and edges with two equivalent CuO5 trigonal bipyramids. There are a spread of Ca–O bond distances ranging from 2.29–2.44 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to five O2- atoms to form CuO5 trigonal bipyramids that share corners with five AsO4 tetrahedra and an edgeedge with one CaO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.91–2.35 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.96 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent CaO6 octahedra and corners with three equivalent CuO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 47–61°. There are a spread of As–O bond distances ranging from 1.69–1.75 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share a cornercorner with one CaO6 octahedra and corners with two equivalent CuO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. There are a spread of As–O bond distances ranging from 1.69–1.78 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+, two Cu2+, and one As5+ atom. In the second O2- site, O2- is bonded to two Ca2+, one Cu2+, and one As5+ atom to form distorted corner-sharing OCa2CuAs tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ca2+, one Cu2+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Cu2+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ca2+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Cu2+, and one As5+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Cu2+, and one As5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ca2+ and one As5+ atom.
DOI: 10.17188/1269069
title: Materials Data on Li2Te2O5 by Materials Project

description: Li2Te2O5 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing LiO4 trigonal pyramids. There are a spread of Li–O bond distances ranging from 1.98–2.15 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. There is one shorter (1.97 Å) and three longer (1.99 Å) Li–O bond length. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.31 Å. In the second Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.44 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Li1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Te4+ atoms.