cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1651969
title: Materials Data on LiFeP2(HO3)2 by Materials Project

description: LiFeP2(HO3)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.06 Å) Li–O bond lengths. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent PHO3 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.99–2.07 Å. P5+ is bonded to one H1- and three O2- atoms to form distorted PHO3 tetrahedra that share corners with three equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 42–48°. The P–H bond length is 1.40 Å. There is one shorter (1.53 Å) and two longer (1.55 Å) P–O bond length. H1- is bonded in a single-bond geometry to one P5+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one Fe3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Fe3+, and one P5+ atom.
DOI: 10.17188/1651970
title: Materials Data on Rb2MnP2H3(O4F)2 by Materials Project

description: Rb2MnP2H3(O4F)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to two O2- and three F1- atoms. There are one shorter (2.90 Å) and one longer (2.93 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.81–3.17 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to two O2- and three F1- atoms. There are one shorter (2.88 Å) and one longer (2.93 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.87–3.07 Å. Mn3+ is bonded to four O2- and two F1- atoms to form MnO4F2 octahedra that share corners with four PO4 tetrahedra. There are two shorter (1.97 Å) and two longer (2.32 Å) Mn–O bond lengths. There is one shorter (1.88 Å) and one longer (1.89 Å) Mn–F bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent MnO4F2 octahedra. The corner-sharing octahedra tilt angles range from 46–47°. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent MnO4F2 octahedra. The corner-sharing octahedra tilt angles range from 46–48°. There are a spread of P–O bond distances ranging from 1.53–1.61 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.52 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.65 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.09 Å) and one longer (1.38 Å) H–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one P5+ and one H1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Mn3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Mn3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one P5+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one P5+, and one H1+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Mn3+, one P5+, and one H1+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Mn3+, one P5+, and one H1+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three Rb1+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three Rb1+ and one Mn3+ atom.
DOI: 10.17188/1651971
title: Materials Data on NaU3 by Materials Project

description: NaU3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve U atoms to form a mixture of face and corner-sharing NaU12 cuboctahedra. There are six shorter (3.19 Å) and six longer (3.31 Å) Na–U bond lengths. There are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to four equivalent Na and eight U atoms. There are a spread of U–U bond distances ranging from 2.76–3.60 Å. In the second U site, U is bonded in a 12-coordinate geometry to four equivalent Na and eight equivalent U atoms.
DOI: 10.17188/1651973
title: Materials Data on Si2Ni3H4O9 by Materials Project

description: Ni3Si2O5(OH)4 crystallizes in the trigonal P31m space group. The structure is two-dimensional and consists of one Ni3Si2O5(OH)4 sheet oriented in the (0, 0, 1) direction. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent SiO4 tetrahedra and edges with six equivalent NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.02–2.14 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent NiO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There is one shorter (1.61 Å) and three longer (1.66 Å) Si–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ni2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ni2+ and one H1+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ni2+ and one H1+ atom.
DOI: 10.17188/1651974
title: Materials Data on Cs2KYBr6 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: 10.17188/1651975
title: Materials Data on BaAlCu4O7 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: 10.17188/1651976
title: Materials Data on Ba2LiV2(Si2O7)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: 10.17188/1651977
title: Materials Data on Li2Ti2MnCr2(PO4)6 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: 10.17188/1651979
title: Materials Data on Dy2Fe15Co2C by Materials Project

description: Dy2Fe15Co2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy is bonded in a distorted single-bond geometry to thirteen Fe, one Co, and one C atom. There are a spread of Dy–Fe bond distances ranging from 3.03–3.31 Å. The Dy–Co bond length is 3.05 Å. The Dy–C bond length is 2.51 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to six Fe, one Co, and one C atom. There are a spread of Fe–Fe bond distances ranging from 2.48–2.54 Å. The Fe–Co bond length is 2.66 Å. The Fe–C bond length is 1.92 Å. In the second Fe site, Fe is bonded to three equivalent Dy, eight Fe, and one Co atom to form distorted FeDy3Fe8Co cuboctahedra that share corners with seventeen FeDy3Fe8Co cuboctahedra, corners with two equivalent CDy2Fe4 octahedra, edges with seven FeDy3Fe8Co cuboctahedra, faces with fourteen FeDy3Fe8Co cuboctahedra, and a faceface with one CDy2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 65–70°. There are a spread of Fe–Fe bond distances ranging from 2.46–2.64 Å. The Fe–Co bond length is 2.67 Å. In the third Fe site, Fe is bonded to two equivalent Dy, eight Fe, and two equivalent Co atoms to form FeDy2Fe8Co2 cuboctahedra that share corners with twelve FeDy3Fe8Co cuboctahedra, corners with two equivalent CDy2Fe4 octahedra, edges with eight FeDy3Fe8Co cuboctahedra, and faces with twelve FeDy3Fe8Co cuboctahedra. The corner-sharing octahedral tilt angles are 45°. All Fe–Fe bond lengths are 2.41 Å. Both Fe–Co bond lengths are 2.61 Å. In the fourth Fe site, Fe is bonded to two equivalent Dy, eight Fe, and two equivalent Co atoms to form distorted FeDy2Fe8Co2 cuboctahedra that share corners with eighteen FeDy3Fe8Co cuboctahedra, edges with six FeDy3Fe8Co cuboctahedra, faces with fourteen FeDy3Fe8Co cuboctahedra, and faces with two equivalent CDy2Fe4 octahedra. There are two shorter (2.41 Å) and two longer (2.42 Å) Fe–Fe bond lengths. Both Fe–Co bond lengths are 2.63 Å. In the fifth Fe site, Fe is bonded in a single-bond geometry to six Fe, two equivalent Co, and one C atom. Both Fe–Fe bond lengths are 2.42 Å. Both Fe–Co bond lengths are 2.72 Å. The Fe–C bond length is 1.83 Å. In the sixth Fe site, Fe is bonded to two equivalent Dy, eight Fe, and two equivalent Co atoms to form FeDy2Fe8Co2 cuboctahedra that share corners with sixteen FeDy3Fe8Co cuboctahedra, corners with two equivalent CDy2Fe4 octahedra, edges with four FeDy3Fe8Co cuboctahedra, an edgeedge with one CDy2Fe4 octahedra, and faces with fifteen FeDy3Fe8Co cuboctahedra. The corner-sharing octahedra tilt angles range from 24–30°. The Fe–Fe bond length is 2.46 Å. Both Fe–Co bond lengths are 2.69 Å. Co is bonded in a 2-coordinate geometry to one Dy, twelve Fe, and one Co atom. The Co–Co bond length is 2.34 Å. C is bonded to two equivalent Dy and four Fe atoms to form CDy2Fe4 octahedra that share corners with eighteen FeDy2Fe8Co2 cuboctahedra, edges with four equivalent FeDy2Fe8Co2 cuboctahedra, and faces with eight FeDy2Fe8Co2 cuboctahedra.
DOI: 10.17188/1651980
title: Materials Data on LiFePO4 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: 10.17188/1651981
title: Materials Data on TiC2 by Materials Project

description: TiC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ti4+ is bonded in a 8-coordinate geometry to eight equivalent C2- atoms. There are four shorter (2.20 Å) and four longer (2.32 Å) Ti–C bond lengths. C2- is bonded in a 5-coordinate geometry to four equivalent Ti4+ and one C2- atom. The C–C bond length is 1.34 Å.
DOI: 10.17188/1651982
title: Materials Data on Nd(Al2Cr)4 by Materials Project

description: Nd(CrAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to eight equivalent Cr and twelve Al atoms. All Nd–Cr bond lengths are 3.42 Å. There are four shorter (3.07 Å) and eight longer (3.25 Å) Nd–Al bond lengths. Cr is bonded to two equivalent Nd, two equivalent Cr, and eight Al atoms to form distorted CrNd2Al8Cr2 cuboctahedra that share corners with eight equivalent AlNd2Al6Cr4 cuboctahedra, corners with ten equivalent CrNd2Al8Cr2 cuboctahedra, edges with four equivalent CrNd2Al8Cr2 cuboctahedra, edges with four equivalent AlNd2Al6Cr4 cuboctahedra, faces with six equivalent CrNd2Al8Cr2 cuboctahedra, and faces with eight equivalent AlNd2Al6Cr4 cuboctahedra. Both Cr–Cr bond lengths are 2.53 Å. There are four shorter (2.59 Å) and four longer (2.71 Å) Cr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Nd, four equivalent Cr, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.87 Å. In the second Al site, Al is bonded to two equivalent Nd, four equivalent Cr, and six Al atoms to form distorted AlNd2Al6Cr4 cuboctahedra that share corners with eight equivalent CrNd2Al8Cr2 cuboctahedra, corners with ten equivalent AlNd2Al6Cr4 cuboctahedra, edges with three equivalent AlNd2Al6Cr4 cuboctahedra, edges with four equivalent CrNd2Al8Cr2 cuboctahedra, faces with seven equivalent AlNd2Al6Cr4 cuboctahedra, and faces with eight equivalent CrNd2Al8Cr2 cuboctahedra. Both Al–Al bond lengths are 2.88 Å.
DOI: 10.17188/1651983
title: Materials Data on MgTiBO4 by Materials Project

description: MgTiBO4 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share a cornercorner with one MgO6 octahedra, corners with two equivalent TiO6 octahedra, edges with two equivalent MgO6 octahedra, and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 59–63°. There are a spread of Mg–O bond distances ranging from 2.04–2.19 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share a cornercorner with one MgO6 octahedra, corners with two equivalent TiO6 octahedra, edges with two equivalent MgO6 octahedra, and edges with four TiO6 octahedra. The corner-sharing octahedra tilt angles range from 59–63°. There are a spread of Mg–O bond distances ranging from 2.06–2.16 Å. There are two inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded to six O2- atoms to form TiO6 octahedra that share a cornercorner with one TiO6 octahedra, corners with two equivalent MgO6 octahedra, edges with two equivalent MgO6 octahedra, and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–63°. There are a spread of Ti–O bond distances ranging from 1.92–2.21 Å. In the second Ti3+ site, Ti3+ is bonded to six O2- atoms to form TiO6 octahedra that share a cornercorner with one TiO6 octahedra, corners with two equivalent MgO6 octahedra, edges with two equivalent TiO6 octahedra, and edges with four MgO6 octahedra. The corner-sharing octahedra tilt angles range from 46–63°. There are a spread of Ti–O bond distances ranging from 1.97–2.21 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.40 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.42 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one B3+ atom. In the third O2- site, O2- is bonded to two Mg2+ and two equivalent Ti3+ atoms to form corner-sharing OMg2Ti2 tetrahedra. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two Ti3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, two equivalent Ti3+, and one B3+ atom. In the sixth O2- site, O2- is bonded to two equivalent Mg2+, one Ti3+, and one B3+ atom to form distorted corner-sharing OMg2TiB tetrahedra. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, two equivalent Ti3+, and one B3+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one Ti3+, and one B3+ atom.
DOI: 10.17188/1651984
title: Materials Data on YbOs2 by Materials Project

description: YbOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are nine shorter (3.11 Å) and three longer (3.12 Å) Yb–Os bond lengths. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Yb3+ and six equivalent Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsYb6Os6 cuboctahedra. All Os–Os bond lengths are 2.70 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Yb3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsYb6Os6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.74 Å) Os–Os bond lengths.
DOI: 10.17188/1651985
title: Materials Data on IrN2 by Materials Project

description: IrN2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent N2- atoms to form IrN6 octahedra that share corners with twelve equivalent IrN6 octahedra and corners with six equivalent NIr3N tetrahedra. The corner-sharing octahedral tilt angles are 71°. All Ir–N bond lengths are 2.11 Å. N2- is bonded to three equivalent Ir4+ and one N2- atom to form NIr3N tetrahedra that share corners with three equivalent IrN6 octahedra and corners with fifteen equivalent NIr3N tetrahedra. The corner-sharing octahedral tilt angles are 70°. The N–N bond length is 1.39 Å.
DOI: 10.17188/1651987
title: Materials Data on PmSe2 by Materials Project

description: PmSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pm3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Pm–Se bond distances ranging from 3.04–3.13 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Pm3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.93 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Pm3+ atoms to form a mixture of distorted edge and corner-sharing SePm5 trigonal bipyramids.
DOI: 10.17188/1651988
title: Materials Data on K4Mo2S4ClO20 by Materials Project

description: K4Mo2S4O20Cl crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.75–3.19 Å. Mo is bonded in a distorted rectangular see-saw-like geometry to four equivalent O and one Cl atom. All Mo–O bond lengths are 2.04 Å. The Mo–Cl bond length is 2.95 Å. S is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.45 Å) and two longer (1.56 Å) S–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to two equivalent K atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent K and one S atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one K, one Mo, and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one S atom. Cl is bonded in a linear geometry to two equivalent Mo atoms.
DOI: 10.17188/1651989
title: Materials Data on LaMg6Al by Materials Project

description: Mg6LaAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to eight Mg, two equivalent La, and one Al atom. There are a spread of Mg–Mg bond distances ranging from 2.98–3.49 Å. There are one shorter (3.56 Å) and one longer (3.79 Å) Mg–La bond lengths. The Mg–Al bond length is 3.05 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to six Mg, two equivalent La, and two equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.25 Å. Both Mg–La bond lengths are 3.33 Å. Both Mg–Al bond lengths are 3.00 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to eight Mg and two equivalent Al atoms. Both Mg–Mg bond lengths are 3.23 Å. Both Mg–Al bond lengths are 3.22 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent La atoms. Both Mg–La bond lengths are 3.31 Å. La is bonded in a 12-coordinate geometry to ten Mg and two equivalent Al atoms. Both La–Al bond lengths are 3.19 Å. Al is bonded in a 10-coordinate geometry to eight Mg and two equivalent La atoms.
DOI: 10.17188/1651990
title: Materials Data on La15Ge9O by Materials Project

description: La15Ge9O crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded to six Ge atoms to form a mixture of distorted edge, face, and corner-sharing LaGe6 octahedra. The corner-sharing octahedra tilt angles range from 32–35°. There are a spread of La–Ge bond distances ranging from 3.19–3.33 Å. In the second La site, La is bonded in a distorted single-bond geometry to five Ge and one O atom. There are a spread of La–Ge bond distances ranging from 3.14–3.91 Å. The La–O bond length is 2.67 Å. In the third La site, La is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of La–Ge bond distances ranging from 3.14–3.33 Å. In the fourth La site, La is bonded in a distorted single-bond geometry to four Ge and one O atom. There are a spread of La–Ge bond distances ranging from 3.14–3.28 Å. The La–O bond length is 2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight La atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine La atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight La atoms. O is bonded in an octahedral geometry to six La atoms.