cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1662593
title: Materials Data on YMg2 by Materials Project

description: Mg2Y is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve YY6Mg6 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two YY6Mg6 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are six shorter (3.28 Å) and six longer (3.32 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Y atoms to form MgY3Mg9 cuboctahedra that share corners with eighteen MgY3Mg9 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, edges with twelve MgMg12 cuboctahedra, faces with six equivalent YY6Mg6 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.32 Å. All Mg–Y bond lengths are 3.44 Å. In the third Mg site, Mg is bonded to six equivalent Mg and six Y atoms to form MgY6Mg6 cuboctahedra that share corners with eighteen MgY3Mg9 cuboctahedra, edges with six equivalent MgY6Mg6 cuboctahedra, edges with twelve YY6Mg6 cuboctahedra, faces with eight MgY3Mg9 cuboctahedra, and faces with twelve YY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.32 Å. All Mg–Y bond lengths are 3.41 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to six Mg and six equivalent Y atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve YY6Mg6 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, edges with twelve MgY3Mg9 cuboctahedra, faces with seven YY6Mg6 cuboctahedra, and faces with thirteen MgMg12 cuboctahedra. All Y–Y bond lengths are 3.32 Å. In the second Y site, Y is bonded to six Mg and six equivalent Y atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve YY6Mg6 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, edges with twelve MgY3Mg9 cuboctahedra, faces with seven YY6Mg6 cuboctahedra, and faces with thirteen MgMg12 cuboctahedra. All Y–Mg bond lengths are 3.44 Å. All Y–Y bond lengths are 3.32 Å.
DOI: 10.17188/1662595
title: Materials Data on CsCN 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: 10.17188/1662596
title: Materials Data on Li2CrP2O7 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: 10.17188/1662597
title: Materials Data on HoFeCo by Materials Project

description: HoFeCo is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Co atoms. There are two shorter (2.95 Å) and four longer (3.04 Å) Ho–Fe bond lengths. All Ho–Co bond lengths are 2.98 Å. Fe is bonded to six equivalent Ho, two equivalent Fe, and four equivalent Co atoms to form FeHo6Fe2Co4 cuboctahedra that share corners with eight equivalent CoHo6Fe4Co2 cuboctahedra, corners with ten equivalent FeHo6Fe2Co4 cuboctahedra, edges with six equivalent FeHo6Fe2Co4 cuboctahedra, faces with six equivalent FeHo6Fe2Co4 cuboctahedra, and faces with twelve equivalent CoHo6Fe4Co2 cuboctahedra. Both Fe–Fe bond lengths are 2.53 Å. All Fe–Co bond lengths are 2.55 Å. Co is bonded to six equivalent Ho, four equivalent Fe, and two equivalent Co atoms to form CoHo6Fe4Co2 cuboctahedra that share corners with eight equivalent FeHo6Fe2Co4 cuboctahedra, corners with ten equivalent CoHo6Fe4Co2 cuboctahedra, edges with six equivalent CoHo6Fe4Co2 cuboctahedra, faces with six equivalent CoHo6Fe4Co2 cuboctahedra, and faces with twelve equivalent FeHo6Fe2Co4 cuboctahedra. Both Co–Co bond lengths are 2.62 Å.
DOI: 10.17188/1662598
title: Materials Data on ZrTaC2 by Materials Project

description: ZrTaC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr3+ is bonded to six equivalent C4- atoms to form ZrC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent ZrC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Zr–C bond lengths are 2.34 Å. Ta5+ is bonded to six equivalent C4- atoms to form TaC6 octahedra that share corners with six equivalent ZrC6 octahedra, edges with six equivalent ZrC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ta–C bond lengths are 2.25 Å. C4- is bonded to three equivalent Zr3+ and three equivalent Ta5+ atoms to form a mixture of corner and edge-sharing CZr3Ta3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1662599
title: Materials Data on SmIn2Cl5 by Materials Project

description: SmIn2Cl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded to seven Cl1- atoms to form edge-sharing SmCl7 pentagonal bipyramids. There are a spread of Sm–Cl bond distances ranging from 2.75–2.83 Å. In1+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of In–Cl bond distances ranging from 3.20–3.29 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sm3+ and two equivalent In1+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Sm3+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Sm3+ and four equivalent In1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Sm3+ and four equivalent In1+ atoms.
DOI: 10.17188/1662600
title: Materials Data on YPd by Materials Project

description: PdY is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Y–Pd bond distances ranging from 2.95–3.01 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Y atoms.
DOI: 10.17188/1662601
title: Materials Data on Na3Gd(CO3)3 by Materials Project

description: Na3Gd(CO3)3 crystallizes in the orthorhombic Ama2 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 O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.45 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.64 Å. In the third Na1+ site, Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.69 Å. Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.42–2.53 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.32 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+, one Gd3+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to two Na1+, one Gd3+, and one C4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+, one Gd3+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+, one Gd3+, and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Na1+, one Gd3+, and one C4+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+, one Gd3+, and one C4+ atom.
DOI: 10.17188/1662602
title: Materials Data on Tb3Nd by Materials Project

description: Tb3Nd is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with twelve equivalent TbTb8Nd4 cuboctahedra, edges with eight equivalent NdTb12 cuboctahedra, edges with sixteen TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with fourteen TbTb8Nd4 cuboctahedra. All Tb–Tb bond lengths are 3.59 Å. All Tb–Nd bond lengths are 3.59 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent TbTb8Nd4 cuboctahedra, corners with eight equivalent NdTb12 cuboctahedra, edges with twenty-four TbTb8Nd4 cuboctahedra, faces with six equivalent NdTb12 cuboctahedra, and faces with twelve TbTb8Nd4 cuboctahedra. All Tb–Nd bond lengths are 3.59 Å. Nd is bonded to twelve Tb atoms to form NdTb12 cuboctahedra that share corners with four equivalent NdTb12 cuboctahedra, corners with eight equivalent TbTb8Nd4 cuboctahedra, edges with eight equivalent NdTb12 cuboctahedra, edges with sixteen equivalent TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with fourteen TbTb8Nd4 cuboctahedra.
DOI: 10.17188/1662603
title: Materials Data on HPb3Cl4OF by Materials Project

description: H2(Pb3OCl4F)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two hydrogen molecules and one Pb3OCl4F framework. In the Pb3OCl4F framework, there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to one O2-, five Cl1-, and two equivalent F1- atoms. The Pb–O bond length is 2.30 Å. There are a spread of Pb–Cl bond distances ranging from 2.93–3.18 Å. There are one shorter (2.55 Å) and one longer (2.64 Å) Pb–F bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 1-coordinate geometry to six Cl1- and one F1- atom. There are a spread of Pb–Cl bond distances ranging from 2.90–3.10 Å. The Pb–F bond length is 2.56 Å. In the third Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to two equivalent O2-, five Cl1-, and one F1- atom. Both Pb–O bond lengths are 2.27 Å. There are a spread of Pb–Cl bond distances ranging from 3.04–3.34 Å. The Pb–F bond length is 2.57 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to three Pb2+ and two Cl1- atoms. There are one shorter (3.47 Å) and one longer (3.50 Å) O–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Pb2+, one O2-, and one F1- atom. The Cl–F bond length is 3.25 Å. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Pb2+ and one F1- atom. The Cl–F bond length is 3.28 Å. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Pb2+, one O2-, and one F1- atom. The Cl–F bond length is 3.28 Å. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Pb2+ atoms. F1- is bonded to four Pb2+ and three Cl1- atoms to form distorted edge-sharing FPb4Cl3 tetrahedra.
DOI: 10.17188/1662604
title: Materials Data on K3Si6H6N11 by Materials Project

description: K3Si6N11H6 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are three shorter (2.92 Å) and three longer (2.98 Å) K–N bond lengths. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to eight N3- atoms. There are two shorter (2.97 Å) and six longer (3.38 Å) K–N bond lengths. Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.70–1.78 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to one K1+ and three equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to one K1+, two equivalent Si4+, and one H1+ atom. The N–H bond length is 1.03 Å. In the third N3- site, N3- is bonded in a distorted water-like geometry to four K1+ and two equivalent Si4+ atoms. H1+ is bonded in a single-bond geometry to one N3- atom.
DOI: 10.17188/1662605
title: Materials Data on MnOF 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: 10.17188/1662606
title: Materials Data on Y2CdHg by Materials Project

description: Y2HgCd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Cd atoms. All Y–Hg bond lengths are 3.24 Å. All Y–Cd bond lengths are 3.24 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Y atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Y atoms.
DOI: 10.17188/1662607
title: Materials Data on Mn3(OF2)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: 10.17188/1662608
title: Materials Data on Sr3Ir3N5 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: 10.17188/1662609
title: Materials Data on Hf3NiF6 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: 10.17188/1662610
title: Materials Data on Li3Cr2CoO6 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: 10.17188/1662611
title: Materials Data on Ta4Fe2N by Materials Project

description: Ta4Fe2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 12-coordinate geometry to six equivalent Fe atoms. All Ta–Fe bond lengths are 2.55 Å. In the second Ta site, Ta is bonded in a distorted bent 150 degrees geometry to two equivalent Fe and two equivalent N atoms. Both Ta–Fe bond lengths are 2.68 Å. Both Ta–N bond lengths are 2.18 Å. Fe is bonded in a 12-coordinate geometry to six Ta atoms. N is bonded to six equivalent Ta atoms to form corner-sharing NTa6 octahedra. The corner-sharing octahedral tilt angles are 39°.
DOI: 10.17188/1662612
title: Materials Data on Cd3Ge by Materials Project

description: Cd3Ge is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to eight Cd and four equivalent Ge atoms to form CdCd8Ge4 cuboctahedra that share corners with twelve equivalent CdCd8Ge4 cuboctahedra, edges with eight equivalent GeCd12 cuboctahedra, edges with sixteen CdCd8Ge4 cuboctahedra, faces with four equivalent GeCd12 cuboctahedra, and faces with fourteen CdCd8Ge4 cuboctahedra. There are four shorter (3.13 Å) and four longer (3.18 Å) Cd–Cd bond lengths. All Cd–Ge bond lengths are 3.18 Å. In the second Cd site, Cd is bonded to eight equivalent Cd and four equivalent Ge atoms to form distorted CdCd8Ge4 cuboctahedra that share corners with four equivalent CdCd8Ge4 cuboctahedra, corners with eight equivalent GeCd12 cuboctahedra, edges with twenty-four CdCd8Ge4 cuboctahedra, faces with six equivalent GeCd12 cuboctahedra, and faces with twelve CdCd8Ge4 cuboctahedra. All Cd–Ge bond lengths are 3.13 Å. Ge is bonded to twelve Cd atoms to form GeCd12 cuboctahedra that share corners with four equivalent GeCd12 cuboctahedra, corners with eight equivalent CdCd8Ge4 cuboctahedra, edges with eight equivalent GeCd12 cuboctahedra, edges with sixteen equivalent CdCd8Ge4 cuboctahedra, faces with four equivalent GeCd12 cuboctahedra, and faces with fourteen CdCd8Ge4 cuboctahedra.
DOI: 10.17188/1662615
title: Materials Data on Li2SiNiO4 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: 10.17188/1662616
title: Materials Data on Ti4Al(CuO4)3 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: 10.17188/1662617
title: Materials Data on CaB2H3 by Materials Project

description: CaB2H3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two CaB2H3 sheets oriented in the (0, 0, 1) direction. Ca is bonded in a 5-coordinate geometry to six H atoms. There are a spread of Ca–H bond distances ranging from 2.11–2.55 Å. There are two inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.23 Å. In the second B site, B is bonded in a water-like geometry to two H atoms. There is one shorter (1.23 Å) and one longer (1.25 Å) B–H bond length. There are three inequivalent H sites. In the first H site, H is bonded in a 1-coordinate geometry to two equivalent Ca and one B atom. In the second H site, H is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca and one B atom. In the third H site, H is bonded in a 3-coordinate geometry to two equivalent Ca and one B atom.
DOI: 10.17188/1662618
title: Materials Data on Te2Ir by Materials Project

description: IrTe2 is Calaverite-like structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one IrTe2 sheet oriented in the (0, 1, 1) direction. there are three inequivalent Ir4+ sites. In the first Ir4+ site, Ir4+ is bonded to six Te2- atoms to form edge-sharing IrTe6 octahedra. There are a spread of Ir–Te bond distances ranging from 2.64–2.72 Å. In the second Ir4+ site, Ir4+ is bonded to six Te2- atoms to form edge-sharing IrTe6 octahedra. There are a spread of Ir–Te bond distances ranging from 2.66–2.70 Å. In the third Ir4+ site, Ir4+ is bonded to six Te2- atoms to form edge-sharing IrTe6 octahedra. There are two shorter (2.67 Å) and four longer (2.68 Å) Ir–Te bond lengths. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Ir4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ir4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ir4+ atoms. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ir4+ atoms. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ir4+ atoms.
DOI: 10.17188/1662619
title: Materials Data on Li2(NiO2)3 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: 10.17188/1662620
title: Materials Data on CeMn4(CuO4)3 by Materials Project

description: CeMn4(CuO4)3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Ce–O bond lengths are 2.56 Å. Mn+4.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent CeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 39°. All Mn–O bond lengths are 1.97 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. O2- is bonded in a 4-coordinate geometry to one Ce3+, two equivalent Mn+4.50+, and one Cu1+ atom.
DOI: 10.17188/1662621
title: Materials Data on KP(HO)4 by Materials Project

description: KP(HO)4 crystallizes in the tetragonal I-42d space group. The structure is one-dimensional and consists of four KP(HO)4 ribbons oriented in the (0, 0, 1) direction. K1+ is bonded in a 8-coordinate geometry to four equivalent O2- atoms. All K–O bond lengths are 3.09 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.90 Å. H+0.50+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a 1-coordinate geometry to one K1+, one P5+, and one H+0.50+ atom.
DOI: 10.17188/1662622
title: Materials Data on LaV2O2 by Materials Project

description: LaV2O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. La is bonded in a distorted hexagonal planar geometry to six equivalent O atoms. There are two shorter (2.54 Å) and four longer (2.60 Å) La–O bond lengths. V is bonded in a single-bond geometry to one O atom. The V–O bond length is 1.84 Å. O is bonded to three equivalent La and one V atom to form a mixture of edge and corner-sharing OLa3V tetrahedra.