cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.34943/25db9018-cc98-4709-a29e-01989a2b8264
title: Juan de Fuca Strait Acoustic Receiver Deployed 2019-10-18

description: The Vemco VR2W Single-Channel Acoustic Receiver 128256 was deployed on 2019-10-18 at Juan de Fuca Strait. Juan de Fuca Strait is a large body of water that connects the Salish Sea to the Pacific Ocean. This device is a Acoustic Receiver. Acoustic receivers detect and decode transmissions from acoustic tags. Receivers are categorized as passive or active which define how the receivers are used. It was deployed on a fixed platform. Data from this deployment were archived and made available through Ocean Network Canada's Oceans 2.0 digital infrastructure, with quality assurance and derived data products following established practices.
DOI: 10.15468/cumg7e
title: A review of the gall midges (Diptera: Cecidomyiidae) of Indonesia: taxonomy, biology and adult key to genera

description: This dataset contains the digitized treatments in Plazi based on the original journal article Kolesik, Peter, Gagné, Raymond J. (2020): A review of the gall midges (Diptera: Cecidomyiidae) of Indonesia: taxonomy, biology and adult key to genera. Zootaxa 4847 (1): 1-82, DOI: https://doi.org/10.11646/zootaxa.4847.1.1
DOI: 10.15468/xx8qnj
title: Geckos in the granite: two new geckos (Squamata: Gekkonidae) from rocky, scrub habitats in Rishi Valley, Andhra Pradesh, India

description: This dataset contains the digitized treatments in Plazi based on the original journal article Agarwal, Ishan, Thackeray, Tejas, Khandekar, Akshay (2020): Geckos in the granite: two new geckos (Squamata: Gekkonidae) from rocky, scrub habitats in Rishi Valley, Andhra Pradesh, India. Zootaxa 4838 (4): 451-474, DOI: https://doi.org/10.11646/zootaxa.4838.4.1
DOI: 10.17188/1192353
title: Materials Data on Er3(AlNi3)2 by Materials Project

description: Er3(Ni3Al)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.76 Å) and four longer (2.99 Å) Er–Ni bond lengths. All Er–Al bond lengths are 3.15 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Er, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.56 Å. Both Ni–Al bond lengths are 2.46 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Er and six equivalent Ni atoms.
DOI: 10.17188/1192354
title: Materials Data on BaGd2O4 by Materials Project

description: BaGd2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–2.99 Å. There are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GdO6 octahedra. The corner-sharing octahedra tilt angles range from 50–60°. There are a spread of Gd–O bond distances ranging from 2.30–2.40 Å. In the second Gd3+ site, Gd3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GdO6 octahedra. The corner-sharing octahedra tilt angles range from 50–60°. There are a spread of Gd–O bond distances ranging from 2.30–2.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three equivalent Gd3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Gd3+ atoms. In the third O2- site, O2- is bonded to two equivalent Ba2+ and three equivalent Gd3+ atoms to form distorted edge-sharing OBa2Gd3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Gd3+ atoms.
DOI: 10.17188/1192355
title: Materials Data on Ba3CuSb2O9 by Materials Project

description: Ba3CuSb2O9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent CuO6 octahedra, faces with seven BaO12 cuboctahedra, a faceface with one CuO6 octahedra, and faces with six SbO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Ba–O bond distances ranging from 2.92–2.98 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent SbO6 octahedra, faces with seven BaO12 cuboctahedra, faces with three equivalent CuO6 octahedra, and faces with four SbO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Ba–O bond distances ranging from 2.81–3.27 Å. In the third Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, faces with three equivalent CuO6 octahedra, and faces with five SbO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.94–3.02 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent SbO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one SbO6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are three shorter (2.04 Å) and three longer (2.22 Å) Cu–O bond lengths. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent CuO6 octahedra, corners with three equivalent SbO6 octahedra, and faces with eight BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are three shorter (1.98 Å) and three longer (2.10 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent SbO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one CuO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (1.99 Å) and three longer (2.06 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Cu2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Cu2+, and one Sb5+ atom.
DOI: 10.17188/1192356
title: Materials Data on K2S5 by Materials Project

description: K2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to eight S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.32–3.67 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.29–3.62 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to five K1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the second S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three K1+ and two S+0.40- atoms. The S–S bond length is 2.08 Å. In the third S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to four K1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the fourth S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three K1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fifth S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+ and two S+0.40- atoms.
DOI: 10.17188/1192357
title: Materials Data on Na3GaSe3 by Materials Project

description: Na3GaSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Na–Se bond distances ranging from 2.96–3.60 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Na–Se bond distances ranging from 2.92–3.49 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Na–Se bond distances ranging from 2.99–3.64 Å. Ga3+ is bonded to four Se2- atoms to form edge-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.40–2.50 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to six Na1+ and two equivalent Ga3+ atoms. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to six Na1+ and one Ga3+ atom. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to six Na1+ and one Ga3+ atom.
DOI: 10.17188/1192358
title: Materials Data on Sr3ErRhO6 by Materials Project

description: Sr3ErRhO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.76 Å. Er3+ is bonded to six equivalent O2- atoms to form distorted ErO6 pentagonal pyramids that share faces with two equivalent RhO6 octahedra. All Er–O bond lengths are 2.27 Å. Rh3+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share faces with two equivalent ErO6 pentagonal pyramids. All Rh–O bond lengths are 2.11 Å. O2- is bonded to four equivalent Sr2+, one Er3+, and one Rh3+ atom to form a mixture of distorted face, edge, and corner-sharing OSr4ErRh octahedra. The corner-sharing octahedra tilt angles range from 0–66°.
DOI: 10.17188/1192359
title: Materials Data on Ba(TbTe2)2 by Materials Project

description: Ba(TbTe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.57–3.76 Å. There are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing TbTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Tb–Te bond distances ranging from 3.07–3.15 Å. In the second Tb3+ site, Tb3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing TbTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Tb–Te bond distances ranging from 3.08–3.14 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Ba2+ and three Tb3+ atoms to form a mixture of distorted edge and corner-sharing TeBa2Tb3 trigonal bipyramids. In the second Te2- site, Te2- is bonded to two equivalent Ba2+ and three equivalent Tb3+ atoms to form a mixture of distorted edge and corner-sharing TeBa2Tb3 square pyramids. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Tb3+ atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three equivalent Tb3+ atoms.
DOI: 10.17188/1192360
title: Materials Data on Rb3SbS4 by Materials Project

description: Rb3SbS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.32–3.86 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.37–3.90 Å. Sb5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.36 Å) and two longer (2.37 Å) Sb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five Rb1+ and one Sb5+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to six Rb1+ and one Sb5+ atom. In the third S2- site, S2- is bonded to five Rb1+ and one Sb5+ atom to form edge-sharing SRb5Sb octahedra.
DOI: 10.17188/1192361
title: Materials Data on La3AgSnSe7 by Materials Project

description: La3AgSnSe7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.06–3.42 Å. Ag1+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. All Ag–Se bond lengths are 2.59 Å. Sn4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are one shorter (2.52 Å) and three longer (2.58 Å) Sn–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a tetrahedral geometry to three equivalent La3+ and one Sn4+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Ag1+ atom. In the third Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Sn4+ atom.
DOI: 10.17188/1192362
title: Materials Data on Ta3Co3C by Materials Project

description: Ta3Co3C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ta is bonded in a 2-coordinate geometry to six Co and two equivalent C atoms. There are a spread of Ta–Co bond distances ranging from 2.75–2.83 Å. Both Ta–C bond lengths are 2.16 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted q6 geometry to six equivalent Ta and six Co atoms. There are three shorter (2.42 Å) and three longer (2.52 Å) Co–Co bond lengths. In the second Co site, Co is bonded to six equivalent Ta and six equivalent Co atoms to form CoTa6Co6 cuboctahedra that share edges with six equivalent CTa6 octahedra and faces with six equivalent CoTa6Co6 cuboctahedra. C is bonded to six equivalent Ta atoms to form CTa6 octahedra that share corners with six equivalent CTa6 octahedra and edges with six equivalent CoTa6Co6 cuboctahedra. The corner-sharing octahedral tilt angles are 45°.
DOI: 10.17188/1192363
title: Materials Data on Rh2O3 by Materials Project

description: Rh2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Rh3+ is bonded to six O2- atoms to form a mixture of face, edge, and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 48–71°. There are a spread of Rh–O bond distances ranging from 2.02–2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Rh3+ atoms to form a mixture of distorted edge and corner-sharing ORh4 trigonal pyramids. In the second O2- site, O2- is bonded to four equivalent Rh3+ atoms to form a mixture of distorted edge and corner-sharing ORh4 tetrahedra.
DOI: 10.17188/1192364
title: Materials Data on DyPtF7 by Materials Project

description: DyPtF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Dy–F bond distances ranging from 2.17–2.42 Å. Pt4+ is bonded in an octahedral geometry to six F1- atoms. There is one shorter (1.96 Å) and five longer (1.97 Å) Pt–F bond length. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Dy3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Dy3+ and one Pt4+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Dy3+ and one Pt4+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Dy3+ and one Pt4+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Dy3+ and one Pt4+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Dy3+ and one Pt4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Dy3+ and one Pt4+ atom.
DOI: 10.17188/1192365
title: Materials Data on K6CdO4 by Materials Project

description: K6CdO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.16 Å. In the second K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 trigonal pyramids that share corners with two equivalent CdO4 tetrahedra, corners with eight equivalent KO4 trigonal pyramids, and an edgeedge with one CdO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.71–2.93 Å. Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with six equivalent KO4 trigonal pyramids and edges with three equivalent KO4 trigonal pyramids. There are one shorter (2.24 Å) and three longer (2.30 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to seven K1+ and one Cd2+ atom. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six K1+ and one Cd2+ atom.
DOI: 10.17188/1192366
title: Materials Data on NaNbGeO5 by Materials Project

description: NaNbGeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.59 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Nb–O bond distances ranging from 1.83–2.23 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–56°. There is three shorter (1.77 Å) and one longer (1.78 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+, one Nb5+, and one Ge4+ atom to form distorted edge-sharing ONa2NbGe tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Nb5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom.
DOI: 10.17188/1192367
title: Materials Data on Cs2NaCr(CN)6 by Materials Project

description: Cs2Na(CN)6Cr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two chrom molecules and one Cs2Na(CN)6 framework. In the Cs2Na(CN)6 framework, Cs1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Cs–N bond distances ranging from 3.31–3.49 Å. Na1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Na–N bond distances ranging from 2.50–2.56 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+, one Na1+, and one C2+ atom. In the second N3- site, N3- is bonded in a 2-coordinate geometry to one Cs1+, one Na1+, and one C2+ atom. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Na1+, and one C2+ atom.
DOI: 10.17188/1192369
title: Materials Data on Be3Cd4Si3TeO12 by Materials Project

description: Be3Cd4Si3TeO12 crystallizes in the cubic P-43n space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Be–O bond lengths are 1.65 Å. Cd2+ is bonded in a 3-coordinate geometry to one Te2- and three equivalent O2- atoms. The Cd–Te bond length is 2.78 Å. All Cd–O bond lengths are 2.25 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra. All Si–O bond lengths are 1.65 Å. Te2- is bonded in a tetrahedral geometry to four equivalent Cd2+ atoms. O2- is bonded in a 3-coordinate geometry to one Be2+, one Cd2+, and one Si4+ atom.
DOI: 10.17188/1192370
title: Materials Data on Er3Ni7B2 by Materials Project

description: Er3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to one Er and twelve Ni atoms. The Er–Er bond length is 3.10 Å. There are a spread of Er–Ni bond distances ranging from 2.95–3.02 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to one Er and twelve Ni atoms. The Er–Er bond length is 3.10 Å. There are a spread of Er–Ni bond distances ranging from 2.95–3.02 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to two Er, twelve equivalent Ni, and six B atoms. All Er–Ni bond lengths are 2.91 Å. All Er–B bond lengths are 2.91 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to five Er, one Ni, and two B atoms. The Ni–Ni bond length is 2.56 Å. There are one shorter (2.05 Å) and one longer (2.06 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded to six Er and six equivalent Ni atoms to form edge-sharing NiEr6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Ni atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Ni atoms.
DOI: 10.17188/1192371
title: Materials Data on LaF3 by Materials Project

description: LaF3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of La–F bond distances ranging from 2.39–2.98 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of La–F bond distances ranging from 2.39–2.98 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to six La3+ and six equivalent F1- atoms to form face-sharing FLa6F6 cuboctahedra. All F–F bond lengths are 2.57 Å. In the second F1- site, F1- is bonded in a trigonal planar geometry to three La3+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to four La3+ and one F1- atom.
DOI: 10.17188/1192372
title: Materials Data on Tl2TeS3 by Materials Project

description: Tl2TeS3 is Krennerite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing TlS6 octahedra. The corner-sharing octahedra tilt angles range from 18–27°. There are a spread of Tl–S bond distances ranging from 3.10–3.38 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.40 Å) and one longer (2.41 Å) Te–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Tl1+ and one Te4+ atom to form distorted edge-sharing STl4Te square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Te4+ atom.