cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1743596
title: Materials Data on Ti2NiOs by Materials Project

description: Ti2OsNi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ti2OsNi ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to one Os and one Ni atom. The Ti–Os bond length is 2.20 Å. The Ti–Ni bond length is 2.29 Å. Os is bonded in a linear geometry to two equivalent Ti atoms. Ni is bonded in a linear geometry to two equivalent Ti atoms.
DOI: 10.17188/1743597
title: Materials Data on K2LiSbI6 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: 10.17188/1743598
title: Materials Data on SrMg by Materials Project

description: SrMg crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to six equivalent Mg atoms. All Sr–Mg bond lengths are 3.64 Å. Mg is bonded in a 6-coordinate geometry to six equivalent Sr atoms.
DOI: 10.17188/1743599
title: Materials Data on Li2Fe(CoO3)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: 10.6092/unibo/amsacta/6592
title: WeLASER. IoT in Crop Management. Survey

description: This dataset contains the underlying data of the following publication: “Vitali G, Francia M, Golfarelli M, Canavari M. Crop Management with the IoT: An Interdisciplinary Survey. Agronomy. 2021; 11(1):181. https://doi.org/10.3390/agronomy11010181". In particular, this data summarizes article citations aggregating them in categories and reporting the related keywords.
DOI: 10.17188/1743600
title: Materials Data on MoP2H18(C3Cl)2 by Materials Project

description: MoCl2(P(CH3)3)2 crystallizes in the tetragonal P4_32_12 space group. The structure is zero-dimensional and consists of eight molybdenum dichloride molecules and sixteen trimethylphosphine molecules.
DOI: 10.5281/zenodo.4306822
title: A global atlas of extreme wind speeds for wind energy applications

description: Here we present a global, homogenized and geospatially explicit digital atlas of the sustained fifty-year return period wind speed (<em>U<sub>50</sub></em>)<em><sub> </sub></em>and associated confidence intervals based on ERA5 reanalysis output at 100 m a.g.l.. Four different approaches are used to derive <em>U<sub>50</sub></em> estimates using 40 years of hourly disjunct 20-minute sustained wind speeds. All rely on use of the Gumbel distribution to fit extreme wind speeds but differ in how the distribution parameters are derived. Resulting values of <em>U<sub>50</sub></em> are compared to reference wind speeds <em>U<sub>ref</sub></em> derived using five times the mean wind speed as specified in the International Electrotechnical Commission (IEC) wind turbine design standards. An observationally derived dataset used in evaluation of the atlas is also included, along with a MATLAB script used in deriving the <em>U<sub>50</sub></em> estimates. Associated publication is: Pryor S.C. and Barthelmie R.J. (2021): A global assessment of extreme wind speeds for wind energy applications. <em>Nature Energy</em> DOI: 10.1038/s41560-020-00773-7
description: {"references": ["Pryor S.C. and Barthelmie R.J. (2020): A global assessment of extreme wind speeds for wind energy applications. Nature Energy"]}
DOI: 10.17188/1743601
title: Materials Data on LiBeCu2 by Materials Project

description: LiBeCu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiBeCu2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Cu atoms. Both Li–Cu bond lengths are 2.60 Å. Be is bonded in a linear geometry to two equivalent Cu atoms. Both Be–Cu bond lengths are 2.08 Å. Cu is bonded in a linear geometry to one Li and one Be atom.
DOI: 10.5281/zenodo.4306821
title: A global atlas of extreme wind speeds for wind energy applications

description: Here we present a global, homogenized and geospatially explicit digital atlas of the sustained fifty-year return period wind speed (<em>U<sub>50</sub></em>)<em><sub> </sub></em>and associated confidence intervals based on ERA5 reanalysis output at 100 m a.g.l.. Four different approaches are used to derive <em>U<sub>50</sub></em> estimates using 40 years of hourly disjunct 20-minute sustained wind speeds. All rely on use of the Gumbel distribution to fit extreme wind speeds but differ in how the distribution parameters are derived. Resulting values of <em>U<sub>50</sub></em> are compared to reference wind speeds <em>U<sub>ref</sub></em> derived using five times the mean wind speed as specified in the International Electrotechnical Commission (IEC) wind turbine design standards. An observationally derived dataset used in evaluation of the atlas is also included, along with a MATLAB script used in deriving the <em>U<sub>50</sub></em> estimates. Associated publication is: Pryor S.C. and Barthelmie R.J. (2021): A global assessment of extreme wind speeds for wind energy applications. <em>Nature Energy</em> DOI: 10.1038/s41560-020-00773-7
description: {"references": ["Pryor S.C. and Barthelmie R.J. (2020): A global assessment of extreme wind speeds for wind energy applications. Nature Energy"]}
DOI: 10.17188/1743602
title: Materials Data on TbAgSn by Materials Project

description: TbAgSn crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are three shorter (3.18 Å) and three longer (3.39 Å) Tb–Ag bond lengths. There are three shorter (3.22 Å) and three longer (3.73 Å) Tb–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Tb, three equivalent Ag, and one Sn atom. All Ag–Ag bond lengths are 2.83 Å. The Ag–Sn bond length is 3.10 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tb, one Ag, and three equivalent Sn atoms. All Sn–Sn bond lengths are 2.93 Å.
DOI: 10.17188/1743603
title: Materials Data on Ti3Te by Materials Project

description: Ti3Te is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to eight Ti and four equivalent Te atoms to form distorted TiTi8Te4 cuboctahedra that share corners with four equivalent TeTi12 cuboctahedra, corners with fourteen TiTi8Te4 cuboctahedra, edges with six equivalent TeTi12 cuboctahedra, edges with twelve TiTi8Te4 cuboctahedra, faces with four equivalent TeTi12 cuboctahedra, and faces with sixteen TiTi8Te4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.81–3.01 Å. There are two shorter (2.91 Å) and two longer (2.97 Å) Ti–Te bond lengths. In the second Ti site, Ti is bonded to eight equivalent Ti and four equivalent Te atoms to form distorted TiTi8Te4 cuboctahedra that share corners with four equivalent TeTi12 cuboctahedra, corners with fourteen TiTi8Te4 cuboctahedra, edges with six equivalent TeTi12 cuboctahedra, edges with twelve equivalent TiTi8Te4 cuboctahedra, faces with four equivalent TeTi12 cuboctahedra, and faces with sixteen TiTi8Te4 cuboctahedra. There are two shorter (2.91 Å) and two longer (2.97 Å) Ti–Te bond lengths. Te is bonded to twelve Ti atoms to form TeTi12 cuboctahedra that share corners with six equivalent TeTi12 cuboctahedra, corners with twelve TiTi8Te4 cuboctahedra, edges with eighteen TiTi8Te4 cuboctahedra, faces with eight equivalent TeTi12 cuboctahedra, and faces with twelve TiTi8Te4 cuboctahedra.
DOI: 10.17188/1743604
title: Materials Data on Ti3S4 by Materials Project

description: Ti3S4 is MAX Phase-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one Ti3S4 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Ti+2.67+ sites. In the first Ti+2.67+ site, Ti+2.67+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three shorter (2.42 Å) and three longer (2.54 Å) Ti–S bond lengths. In the second Ti+2.67+ site, Ti+2.67+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing TiS6 octahedra. The corner-sharing octahedra tilt angles range from 3–46°. There are three shorter (2.38 Å) and three longer (2.58 Å) Ti–S bond lengths. In the third Ti+2.67+ site, Ti+2.67+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are three shorter (2.43 Å) and three longer (2.46 Å) Ti–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to six Ti+2.67+ atoms to form a mixture of distorted edge and corner-sharing STi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 6°. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti+2.67+ atoms. In the third S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti+2.67+ atoms. In the fourth S2- site, S2- is bonded to six Ti+2.67+ atoms to form a mixture of edge and corner-sharing STi6 octahedra.
DOI: 10.17188/1743605
title: Materials Data on NaSbO12 by Materials Project

description: NaSbO4(O2)4 crystallizes in the tetragonal P4_2/n space group. The structure is one-dimensional and consists of eight oxygen molecules and two NaSbO4 ribbons oriented in the (0, 0, 1) direction. In each NaSbO4 ribbon, Na is bonded in a 8-coordinate geometry to four equivalent O atoms. All Na–O bond lengths are 2.40 Å. Sb is bonded in a 4-coordinate geometry to four equivalent O atoms. All Sb–O bond lengths are 1.92 Å. O is bonded in a water-like geometry to one Na and one Sb atom.
DOI: 10.17188/1743606
title: Materials Data on EuMgCd2 by Materials Project

description: MgEuCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Mg–Cd bond lengths are 3.22 Å. Eu is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Eu–Cd bond lengths are 3.22 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Eu atoms.
DOI: 10.17188/1743607
title: Materials Data on Li7RuN4 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: 10.17188/1743608
title: Materials Data on Ca8Mn7CrO20 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: 10.17188/1743609
title: Materials Data on Ba3Eu by Materials Project

description: Ba3Eu is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Eu atoms. All Ba–Ba bond lengths are 4.26 Å. All Ba–Eu bond lengths are 4.26 Å. In the second Ba site, Ba is bonded in a body-centered cubic geometry to eight equivalent Ba atoms. Eu is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.
DOI: 10.17188/1743610
title: Materials Data on LiVF4 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: 10.17188/1743611
title: Materials Data on Dy6Fe16O 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: 10.17188/1743613
title: Materials Data on CeGaPt by Materials Project

description: CePtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Ga atoms. There are a spread of Ce–Pt bond distances ranging from 2.98–3.14 Å. There are a spread of Ce–Ga bond distances ranging from 3.12–3.28 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.63–2.80 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Pt atoms.
DOI: 10.17188/1743614
title: Materials Data on Ti4Co5Ni by Materials Project

description: Ti4Co5Ni crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 9-coordinate geometry to eight Co and one Ni atom. There are four shorter (2.48 Å) and four longer (2.65 Å) Ti–Co bond lengths. The Ti–Ni bond length is 2.56 Å. In the second Ti site, Ti is bonded in a body-centered cubic geometry to eight Co atoms. There are four shorter (2.55 Å) and four longer (2.60 Å) Ti–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Ni atoms. All Co–Ni bond lengths are 2.51 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Ti atoms. In the third Co site, Co is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Ni is bonded in a distorted q6 geometry to two equivalent Ti and eight equivalent Co atoms.
DOI: 10.17188/1743616
title: Materials Data on MgSi2 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: 10.17188/1743617
title: Materials Data on FeBiO3 by Materials Project

description: BiFeO3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Fe3+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.85 Å) and four longer (2.02 Å) Fe–O bond length. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.32 Å) and four longer (2.83 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Fe3+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OFe2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Fe3+ and four equivalent Bi3+ atoms.
DOI: 10.17188/1743618
title: Materials Data on CsTaWO6 by Materials Project

description: CsTaWO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cs1+ is bonded to six O2- atoms to form CsO6 octahedra that share corners with six equivalent TaO6 octahedra and corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 70–72°. There are a spread of Cs–O bond distances ranging from 3.28–3.34 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent WO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 38–72°. There is two shorter (1.98 Å) and four longer (2.00 Å) Ta–O bond length. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent TaO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 37–72°. There is four shorter (1.94 Å) and two longer (1.96 Å) W–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Ta5+, and one W6+ atom.
DOI: 10.17188/1743620
title: Materials Data on TmH3 by Materials Project

description: TmH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Tm3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Tm–H bond distances ranging from 2.09–2.45 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Tm3+ atoms. In the second H1- site, H1- is bonded in a trigonal non-coplanar geometry to three equivalent Tm3+ atoms. In the third H1- site, H1- is bonded to four equivalent Tm3+ atoms to form a mixture of distorted corner, edge, and face-sharing HTm4 tetrahedra.
DOI: 10.17188/1743621
title: Materials Data on LaIn2Ni9 by Materials Project

description: LaNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (3.03 Å) and eight longer (3.30 Å) La–Ni bond lengths. All La–In bond lengths are 3.30 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent La, seven Ni, and three equivalent In atoms to form NiLa2In3Ni7 cuboctahedra that share corners with eighteen NiLa2In3Ni7 cuboctahedra, edges with nine NiLa2In2Ni8 cuboctahedra, and faces with twenty NiLa2In3Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.41–2.53 Å. There are one shorter (2.64 Å) and two longer (2.81 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded to two equivalent La, eight Ni, and two equivalent In atoms to form a mixture of distorted face, edge, and corner-sharing NiLa2In2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.47–2.65 Å. Both Ni–In bond lengths are 2.83 Å. In the third Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiLa2In2Ni8 cuboctahedra, edges with two equivalent NiIn4Ni8 cuboctahedra, and faces with twenty NiLa2In3Ni7 cuboctahedra. All Ni–In bond lengths are 2.82 Å. In is bonded in a 12-coordinate geometry to two equivalent La, twelve Ni, and one In atom. The In–In bond length is 2.90 Å.
DOI: 10.17188/1743622
title: Materials Data on NaMo4C4NO14 by Materials Project

description: Na(Mo2O7)2C4N crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four C4N clusters and one Na(Mo2O7)2 sheet oriented in the (0, 0, 1) direction. In each C4N cluster, there are two inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.74 Å. In the second C+1.50+ site, C+1.50+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.35 Å. N3- is bonded in a distorted bent 150 degrees geometry to four C+1.50+ atoms. In the Na(Mo2O7)2 sheet, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.67 Å. There are three inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.45 Å. In the second Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.59 Å. In the third Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.48 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one O2- atom. The O–O bond length is 1.24 Å. In the second O2- site, O2- is bonded in a 5-coordinate geometry to five Mo6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Mo6+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo6+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo6+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Na1+ and one Mo6+ atom.
DOI: 10.17188/1743624
title: Materials Data on Li3Y2(BO3)3 by Materials Project

description: Li3Y2(BO3)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.01–2.54 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.59 Å. In the third Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.30 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Y–O bond distances ranging from 2.33–2.76 Å. In the second Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Y–O bond distances ranging from 2.32–2.84 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.36 Å) and two longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.39 Å) B–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+, two Y3+, and one B3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, two Y3+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Y3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Y3+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two Y3+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Li1+, two equivalent Y3+, and one B3+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Y3+, and one B3+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Li1+, two Y3+, and one B3+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two Y3+, and one B3+ atom.