cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1714260
title: Materials Data on Ca7OsN6 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: 10.17188/1714261
title: Materials Data on Ho(Fe5Si)2 by Materials Project

description: HoFe10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Si atoms. There are a spread of Ho–Fe bond distances ranging from 2.93–3.18 Å. All Ho–Si bond lengths are 3.09 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to one Ho, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.33–2.91 Å. Both Fe–Si bond lengths are 2.60 Å. In the second Fe site, Fe is bonded in a 10-coordinate geometry to one Ho, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.67 Å. Both Fe–Si bond lengths are 2.53 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ho, eight Fe, and two equivalent Si atoms. All Fe–Fe bond lengths are 2.44 Å. Both Fe–Si bond lengths are 2.61 Å. In the fourth Fe site, Fe is bonded to two equivalent Ho, eight Fe, and two equivalent Si atoms to form distorted FeHo2Fe8Si2 cuboctahedra that share corners with four equivalent SiHo2Fe10 cuboctahedra, corners with ten equivalent FeHo2Fe8Si2 cuboctahedra, edges with two equivalent SiHo2Fe10 cuboctahedra, edges with four equivalent FeHo2Fe8Si2 cuboctahedra, faces with four equivalent SiHo2Fe10 cuboctahedra, and faces with six equivalent FeHo2Fe8Si2 cuboctahedra. Both Fe–Fe bond lengths are 2.38 Å. Both Fe–Si bond lengths are 2.39 Å. Si is bonded to two equivalent Ho and ten Fe atoms to form distorted SiHo2Fe10 cuboctahedra that share corners with six equivalent SiHo2Fe10 cuboctahedra, corners with eight equivalent FeHo2Fe8Si2 cuboctahedra, edges with three equivalent SiHo2Fe10 cuboctahedra, edges with four equivalent FeHo2Fe8Si2 cuboctahedra, a faceface with one SiHo2Fe10 cuboctahedra, and faces with eight equivalent FeHo2Fe8Si2 cuboctahedra.
DOI: 10.17188/1714262
title: Materials Data on Ca3(InN2)2 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: 10.17188/1714263
title: Materials Data on Rb2AgAuCl6 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: 10.17188/1714264
title: Materials Data on SNO4 by Materials Project

description: N2(SO4)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of eight ammonia molecules and eight sulfuric acid molecules.
DOI: 10.17188/1714265
title: Materials Data on Ba2CdN2 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: 10.17188/1714266
title: Materials Data on K2ZnN4 by Materials Project

description: K2ZnN4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six N1- atoms to form distorted KN6 pentagonal pyramids that share corners with two equivalent ZnN4 tetrahedra, edges with six KN6 pentagonal pyramids, and edges with two equivalent ZnN4 tetrahedra. There are a spread of K–N bond distances ranging from 2.75–3.06 Å. In the second K1+ site, K1+ is bonded to six N1- atoms to form distorted KN6 pentagonal pyramids that share corners with four equivalent ZnN4 tetrahedra, edges with six KN6 pentagonal pyramids, and an edgeedge with one ZnN4 tetrahedra. There are a spread of K–N bond distances ranging from 2.83–3.13 Å. Zn2+ is bonded to four N1- atoms to form ZnN4 tetrahedra that share corners with six KN6 pentagonal pyramids and edges with three KN6 pentagonal pyramids. There are a spread of Zn–N bond distances ranging from 1.92–1.97 Å. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Zn2+ atom. In the second N1- site, N1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the third N1- site, N1- is bonded in a distorted see-saw-like geometry to three K1+ and one Zn2+ atom. In the fourth N1- site, N1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Zn2+ atom.
DOI: 10.17188/1714267
title: Materials Data on NaFeAs by Materials Project

description: NaFeAs crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Na2Fe3As2 sheet oriented in the (0, 0, 1) direction and one Na2FeAs2 sheet oriented in the (0, 0, 1) direction. In the Na2Fe3As2 sheet, Na1+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. All Na–As bond lengths are 3.00 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to six equivalent Fe2+ and six equivalent As3- atoms to form FeFe6As6 cuboctahedra that share corners with six equivalent FeFe3As4 tetrahedra, faces with six equivalent FeFe6As6 cuboctahedra, and faces with six equivalent FeFe3As4 tetrahedra. All Fe–Fe bond lengths are 2.41 Å. All Fe–As bond lengths are 2.76 Å. In the second Fe2+ site, Fe2+ is bonded to three equivalent Fe2+ and four equivalent As3- atoms to form distorted FeFe3As4 tetrahedra that share corners with three equivalent FeFe6As6 cuboctahedra, corners with three equivalent FeFe3As4 tetrahedra, edges with six equivalent FeFe3As4 tetrahedra, faces with three equivalent FeFe6As6 cuboctahedra, and faces with three equivalent FeFe3As4 tetrahedra. There are a spread of Fe–As bond distances ranging from 2.37–2.40 Å. As3- is bonded in a 7-coordinate geometry to three equivalent Na1+ and seven Fe2+ atoms. In the Na2FeAs2 sheet, Na1+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. All Na–As bond lengths are 3.00 Å. Fe2+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. All Fe–As bond lengths are 2.47 Å. As3- is bonded to three equivalent Na1+ and three equivalent Fe2+ atoms to form a mixture of distorted corner and edge-sharing AsNa3Fe3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1714268
title: Materials Data on Rb2PtC4(N2Cl)2 by Materials Project

description: Rb2PtC4(N2Cl)2 crystallizes in the triclinic P-1 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 four N3- and three Cl1- atoms. There are a spread of Rb–N bond distances ranging from 3.10–3.61 Å. There are one shorter (3.61 Å) and two longer (3.63 Å) Rb–Cl bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to five N3- and two Cl1- atoms. There are a spread of Rb–N bond distances ranging from 3.11–3.35 Å. There are one shorter (3.49 Å) and one longer (3.59 Å) Rb–Cl bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in an octahedral geometry to four C+3.50+ and two equivalent Cl1- atoms. All Pt–C bond lengths are 2.02 Å. Both Pt–Cl bond lengths are 2.37 Å. In the second Pt2- site, Pt2- is bonded in an octahedral geometry to four C+3.50+ and two equivalent Cl1- atoms. All Pt–C bond lengths are 2.02 Å. Both Pt–Cl bond lengths are 2.37 Å. There are four inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the third C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the fourth C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one C+3.50+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one C+3.50+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one C+3.50+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two Rb1+ and one Pt2- atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Rb1+ and one Pt2- atom.
DOI: 10.17188/1714269
title: Materials Data on Ta3B2Ru5 by Materials Project

description: Ta3Ru5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 11-coordinate geometry to ten Ru and three equivalent B atoms. There are a spread of Ta–Ru bond distances ranging from 2.80–2.96 Å. There are one shorter (2.71 Å) and two longer (2.86 Å) Ta–B bond lengths. In the second Ta site, Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.65 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to six Ta and two equivalent B atoms. Both Ru–B bond lengths are 2.19 Å. In the second Ru site, Ru is bonded in a distorted body-centered cubic geometry to four equivalent Ta and four equivalent B atoms. All Ru–B bond lengths are 2.22 Å. B is bonded in a 6-coordinate geometry to three equivalent Ta and six Ru atoms.
DOI: 10.17188/1714270
title: Materials Data on HfGe2Ru by Materials Project

description: HfRuGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to four Ru and eight Ge atoms. There are a spread of Hf–Ru bond distances ranging from 3.06–3.24 Å. There are a spread of Hf–Ge bond distances ranging from 2.71–3.02 Å. In the second Hf site, Hf is bonded in a 7-coordinate geometry to six Ru and seven Ge atoms. There are a spread of Hf–Ru bond distances ranging from 3.06–3.28 Å. There are a spread of Hf–Ge bond distances ranging from 2.80–2.98 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to five Hf, one Ru, and six Ge atoms. The Ru–Ru bond length is 2.85 Å. There are a spread of Ru–Ge bond distances ranging from 2.48–2.67 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four Hf, two equivalent Ru, and six Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.53–2.61 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to five Hf and four Ru atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Hf, three Ru, and one Ge atom. The Ge–Ge bond length is 2.47 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to four equivalent Hf, two equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Hf, two equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Hf and four Ru atoms.
DOI: 10.17188/1714271
title: Materials Data on Ni3H6SO3 by Materials Project

description: (NiO)2NiH2SO(H2)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two hydrogen molecules; one NiH2SO cluster; and one NiO ribbon oriented in the (1, 0, 0) direction. In the NiH2SO cluster, Ni+1.33+ is bonded in a linear geometry to one S2- and one O2- atom. The Ni–S bond length is 2.14 Å. The Ni–O bond length is 1.76 Å. There are two inequivalent H+0.67+ sites. In the first H+0.67+ site, H+0.67+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.36 Å. In the second H+0.67+ site, H+0.67+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. S2- is bonded in an L-shaped geometry to one Ni+1.33+ and one H+0.67+ atom. O2- is bonded in a distorted bent 120 degrees geometry to one Ni+1.33+ and one H+0.67+ atom. In the NiO ribbon, there are two inequivalent Ni+1.33+ sites. In the first Ni+1.33+ site, Ni+1.33+ is bonded in a linear geometry to two O2- atoms. Both Ni–O bond lengths are 1.75 Å. In the second Ni+1.33+ site, Ni+1.33+ is bonded in a linear geometry to two O2- atoms. Both Ni–O bond lengths are 1.75 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Ni+1.33+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Ni+1.33+ atoms.
DOI: 10.17188/1714272
title: Materials Data on Ho3(FeGe)4 by Materials Project

description: Ho3(FeGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to six equivalent Fe and six Ge atoms. There are two shorter (2.92 Å) and four longer (3.06 Å) Ho–Fe bond lengths. There are two shorter (2.92 Å) and four longer (3.03 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to six Ge atoms to form distorted edge-sharing HoGe6 octahedra. There are four shorter (2.93 Å) and two longer (2.98 Å) Ho–Ge bond lengths. Fe is bonded in a 4-coordinate geometry to three equivalent Ho, one Fe, and four Ge atoms. The Fe–Fe bond length is 2.43 Å. There are a spread of Fe–Ge bond distances ranging from 2.50–2.57 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Ho and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.63 Å.
DOI: 10.17188/1714273
title: Materials Data on Li2MnSi3O8 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: 10.17188/1714274
title: Materials Data on MoPt by Materials Project

description: PtMo crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo2+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. All Mo–Pt bond lengths are 2.79 Å. Pt2- is bonded to six equivalent Mo2+ and six equivalent Pt2- atoms to form a mixture of face, edge, and corner-sharing PtMo6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.82 Å.
DOI: 10.17188/1714275
title: Materials Data on Li2NbCo3O8 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: 10.17188/1714276
title: Materials Data on Na3(CoO2)5 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: 10.17188/1714277
title: Materials Data on CsInCl3 by Materials Project

description: CsInCl3 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight InCl6 octahedra. All Cs–Cl bond lengths are 3.96 Å. There are two inequivalent In2+ sites. In the first In2+ site, In2+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 3.02 Å. In the second In2+ site, In2+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.57 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent Cs1+ and two In2+ atoms.
DOI: 10.17188/1714278
title: Materials Data on Ca2PdWO6 by Materials Project

description: Ca2WPdO6 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.89 Å. In the second Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.90 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six PdO6 octahedra. The corner-sharing octahedra tilt angles range from 7–14°. There are a spread of W–O bond distances ranging from 1.92–1.97 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six PdO6 octahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of W–O bond distances ranging from 1.92–1.97 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to six O2- atoms to form PdO6 octahedra that share corners with six WO6 octahedra. The corner-sharing octahedra tilt angles range from 7–14°. There are a spread of Pd–O bond distances ranging from 2.13–2.32 Å. In the second Pd2+ site, Pd2+ is bonded to six O2- atoms to form PdO6 octahedra that share corners with six WO6 octahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of Pd–O bond distances ranging from 2.14–2.30 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Ca2+, one W6+, and one Pd2+ atom. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Ca2+, one W6+, and one Pd2+ atom. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Ca2+, one W6+, and one Pd2+ atom. In the fourth O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Ca2+, one W6+, and one Pd2+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+, one W6+, and one Pd2+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+, one W6+, and one Pd2+ atom.
DOI: 10.17188/1714279
title: Materials Data on Na4Eu2GeAs4 by Materials Project

description: Na4Eu2GeAs4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of Na–As bond distances ranging from 3.14–3.34 Å. In the second Na1+ site, Na1+ is bonded to four As3- atoms to form distorted NaAs4 tetrahedra that share corners with two equivalent GeAs4 tetrahedra, corners with six NaAs4 tetrahedra, corners with two equivalent NaAs4 trigonal pyramids, and an edgeedge with one GeAs4 tetrahedra. There are a spread of Na–As bond distances ranging from 2.96–3.17 Å. In the third Na1+ site, Na1+ is bonded to four As3- atoms to form distorted NaAs4 trigonal pyramids that share corners with two equivalent GeAs4 tetrahedra, corners with six NaAs4 tetrahedra, corners with two equivalent NaAs4 trigonal pyramids, and an edgeedge with one GeAs4 tetrahedra. There are a spread of Na–As bond distances ranging from 2.94–3.16 Å. In the fourth Na1+ site, Na1+ is bonded to four As3- atoms to form distorted NaAs4 tetrahedra that share corners with two equivalent GeAs4 tetrahedra, corners with four equivalent NaAs4 tetrahedra, corners with four equivalent NaAs4 trigonal pyramids, and an edgeedge with one GeAs4 tetrahedra. There are a spread of Na–As bond distances ranging from 2.99–3.18 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six As3- atoms. There are a spread of Eu–As bond distances ranging from 3.12–3.60 Å. In the second Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six As3- atoms. There are a spread of Eu–As bond distances ranging from 3.11–3.53 Å. Ge4+ is bonded to four As3- atoms to form GeAs4 tetrahedra that share corners with four NaAs4 tetrahedra, corners with two equivalent NaAs4 trigonal pyramids, edges with two NaAs4 tetrahedra, and an edgeedge with one NaAs4 trigonal pyramid. There are a spread of Ge–As bond distances ranging from 2.46–2.54 Å. There are four inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to five Na1+, two equivalent Eu2+, and one Ge4+ atom. In the second As3- site, As3- is bonded in a 7-coordinate geometry to four Na1+, four Eu2+, and one Ge4+ atom. In the third As3- site, As3- is bonded in a 8-coordinate geometry to four Na1+, three Eu2+, and one Ge4+ atom. In the fourth As3- site, As3- is bonded in a 8-coordinate geometry to four Na1+, three Eu2+, and one Ge4+ atom.
DOI: 10.17188/1714280
title: Materials Data on LiLaO3 by Materials Project

description: LiLaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 1.91 Å. La is bonded to twelve equivalent O atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All La–O bond lengths are 2.70 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent La atoms.
DOI: 10.6084/m9.figshare.13683139.v1
title: Gravity_reference_stations_2020

description: Listing of all gravity reference stations in New Zealand 2020