cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1731599
title: Materials Data on Ba2InSbTe5 by Materials Project

description: Ba2InSbTe5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.50–3.93 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.53–3.97 Å. In3+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with two equivalent InTe4 tetrahedra and edges with two equivalent SbTe6 octahedra. There are a spread of In–Te bond distances ranging from 2.81–2.89 Å. Sb3+ is bonded to six Te2- atoms to form distorted SbTe6 octahedra that share edges with two equivalent SbTe6 octahedra and edges with two equivalent InTe4 tetrahedra. There are a spread of Sb–Te bond distances ranging from 2.88–3.57 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two Ba2+, two equivalent In3+, and one Sb3+ atom. In the second Te2- site, Te2- is bonded to four Ba2+ and one In3+ atom to form distorted TeBa4In square pyramids that share corners with four equivalent TeBa4Sb square pyramids and edges with four TeBa4In square pyramids. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Ba2+, one In3+, and two equivalent Sb3+ atoms. In the fourth Te2- site, Te2- is bonded to four Ba2+ and one Sb3+ atom to form TeBa4Sb square pyramids that share corners with four equivalent TeBa4In square pyramids and edges with four TeBa4Sb square pyramids. In the fifth Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Sb3+ atoms.
DOI: 10.17188/1731600
title: Materials Data on LiFe5O8 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: 10.17188/1731601
title: Materials Data on SrEuC4 by Materials Project

description: SrEuC4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q4 geometry to ten C1- atoms. There are two shorter (2.72 Å) and eight longer (2.94 Å) Sr–C bond lengths. Eu2+ is bonded in a distorted q4 geometry to ten C1- atoms. There are two shorter (2.71 Å) and eight longer (2.94 Å) Eu–C bond lengths. There are two inequivalent C1- sites. In the first C1- site, C1- is bonded in a 6-coordinate geometry to two equivalent Sr2+, three equivalent Eu2+, and one C1- atom. The C–C bond length is 1.27 Å. In the second C1- site, C1- is bonded in a 2-coordinate geometry to three equivalent Sr2+, two equivalent Eu2+, and one C1- atom. The C–C bond length is 1.26 Å.
DOI: 10.17188/1731602
title: Materials Data on Mn3(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: 10.17188/1731603
title: Materials Data on NaBi(WO4)2 by Materials Project

description: NaBi(WO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.51 Å) and four longer (2.56 Å) Na–O bond lengths. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. In the second W6+ site, W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.47 Å) and four longer (2.49 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one W6+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one W6+, and one Bi3+ atom.
DOI: 10.17188/1731604
title: Materials Data on Zr3Pb by Materials Project

description: Zr3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to eight Zr and four equivalent Pb atoms to form distorted ZrZr8Pb4 cuboctahedra that share corners with twelve equivalent ZrZr8Pb4 cuboctahedra, edges with eight equivalent ZrZr8Pb4 cuboctahedra, edges with eight equivalent PbZr12 cuboctahedra, faces with four equivalent PbZr12 cuboctahedra, and faces with ten equivalent ZrZr8Pb4 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.27 Å) Zr–Zr bond lengths. All Zr–Pb bond lengths are 3.27 Å. In the second Zr site, Zr is bonded in a square co-planar geometry to eight equivalent Zr and four equivalent Pb atoms. All Zr–Pb bond lengths are 3.11 Å. Pb is bonded to twelve Zr atoms to form PbZr12 cuboctahedra that share corners with four equivalent PbZr12 cuboctahedra, edges with eight equivalent PbZr12 cuboctahedra, edges with sixteen equivalent ZrZr8Pb4 cuboctahedra, faces with four equivalent PbZr12 cuboctahedra, and faces with eight equivalent ZrZr8Pb4 cuboctahedra.
DOI: 10.17188/1731605
title: Materials Data on Cs3NiF7 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: 10.17188/1731606
title: Materials Data on LiCo2(CO3)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: 10.17188/1731607
title: Materials Data on YbAg2Pb by Materials Project

description: YbAg2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Ag and six equivalent Pb atoms. All Yb–Ag bond lengths are 3.10 Å. All Yb–Pb bond lengths are 3.58 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Pb atoms. All Ag–Pb bond lengths are 3.10 Å. Pb is bonded in a distorted body-centered cubic geometry to six equivalent Yb and eight equivalent Ag atoms.
DOI: 10.17188/1731608
title: Materials Data on Ti6Ga16Co7 by Materials Project

description: Ti6Co7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent Co and eight Ga atoms. All Ti–Co bond lengths are 3.03 Å. There are four shorter (2.62 Å) and four longer (2.98 Å) Ti–Ga bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Ti and eight Ga atoms to form a mixture of distorted corner and face-sharing CoTi4Ga8 cuboctahedra. There are four shorter (2.43 Å) and four longer (2.58 Å) Co–Ga bond lengths. In the second Co site, Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.48 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ti, three equivalent Co, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Ti, four Co, and six Ga atoms. All Ga–Ga bond lengths are 2.86 Å.
DOI: 10.17188/1731609
title: Materials Data on LiPtN 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: 10.17188/1731610
title: Materials Data on NaCo2BiO6 by Materials Project

description: NaCo2BiO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.31 Å) and three longer (2.48 Å) Na–O bond lengths. There are two inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 29–39°. There are three shorter (1.99 Å) and three longer (2.13 Å) Co–O bond lengths. In the second Co4+ site, Co4+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 29–39°. There are three shorter (1.89 Å) and three longer (2.14 Å) Co–O bond lengths. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.13 Å) and three longer (2.20 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to one Na1+, two Co4+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to one Na1+, two Co4+, and one Bi3+ atom.
DOI: 10.6073/pasta/a0b99db77675519d7088425b5d4c54fb
title: Jornada Basin LTER: Wireless meteorological station at NPP T-WEST site: Daily summary data: 2013 - ongoing

description: Daily summary data at NPP T-WEST met station. Average/maximum/minimum air temperature; average/maximum relative humidity and wind speed and average wind direction. These are measured and calculated based on 1-second scan rate of all sensors located at an automated meteorological station installed at Jornada LTER NPP T-WEST site. Wind speed is measured at 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. This climate station is operated by the Jornada LTER Program. This is an ONGOING dataset.
DOI: 10.17188/1731611
title: Materials Data on Lu2Pt by Materials Project

description: Lu2Pt is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Pt atoms to form a mixture of edge and corner-sharing LuPt4 tetrahedra. There are a spread of Lu–Pt bond distances ranging from 2.83–2.90 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are one shorter (2.79 Å) and two longer (3.01 Å) Lu–Pt bond lengths. Pt is bonded in a 7-coordinate geometry to seven Lu atoms.
DOI: 10.17188/1731613
title: Materials Data on GaPH11C3Cl by Materials Project

description: P(CH3)3GaH2Cl crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two chlorogallium molecules and two trimethylphosphine molecules.
DOI: 10.17188/1731614
title: Materials Data on UNiGe by Materials Project

description: UNiGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. U is bonded in a 11-coordinate geometry to six equivalent Ni and six equivalent Ge atoms. There are a spread of U–Ni bond distances ranging from 2.85–3.35 Å. There are a spread of U–Ge bond distances ranging from 2.96–3.16 Å. Ni is bonded in a 10-coordinate geometry to six equivalent U, one Ni, and three equivalent Ge atoms. The Ni–Ni bond length is 2.59 Å. There are two shorter (2.46 Å) and one longer (2.57 Å) Ni–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent U, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.58 Å.
DOI: 10.17188/1731615
title: Materials Data on LiNiBP2H6O11 by Materials Project

description: LiNiBP2H6O11 crystallizes in the hexagonal P6_122 space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent PO4 tetrahedra and edges with two equivalent NiO6 octahedra. There are a spread of Li–O bond distances ranging from 1.96–2.17 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent PO4 tetrahedra and edges with two equivalent LiO5 trigonal bipyramids. There are a spread of Ni–O bond distances ranging from 2.09–2.13 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.47 Å) and two longer (1.48 Å) B–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent NiO6 octahedra, corners with two equivalent BO4 tetrahedra, and a cornercorner with one LiO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of P–O bond distances ranging from 1.52–1.59 Å. There are three 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 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Ni2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Li1+, one Ni2+, and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ni2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one P5+ atom.
DOI: 10.17188/1731616
title: Materials Data on B20H30C2S 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: 10.17188/1731618
title: Materials Data on NaZrP2O9 by Materials Project

description: NaZrP2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 1-coordinate geometry to three O atoms. There are a spread of Na–O bond distances ranging from 2.20–2.62 Å. Zr is bonded to six O atoms to form ZrO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Zr–O bond distances ranging from 2.05–2.17 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 19–43°. There are a spread of P–O bond distances ranging from 1.51–1.70 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 6–28°. There is one shorter (1.49 Å) and three longer (1.57 Å) P–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Na, one Zr, and one P atom. In the second O site, O is bonded in a linear geometry to one Zr and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.35 Å. In the fourth O site, O is bonded in a distorted linear geometry to one Na and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Zr and one P atom. In the sixth O site, O is bonded in a single-bond geometry to one O atom. In the seventh O site, O is bonded in a 3-coordinate geometry to one Na, one Zr, and one P atom. In the eighth O site, O is bonded in a 2-coordinate geometry to one Zr and one P atom. In the ninth O site, O is bonded in a distorted linear geometry to one Zr and one P atom.
DOI: 10.17188/1731619
title: Materials Data on Fe3BO5 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: 10.17188/1731620
title: Materials Data on SmAlPt by Materials Project

description: SmPtAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Al atoms. There are a spread of Sm–Pt bond distances ranging from 2.91–3.18 Å. There are a spread of Sm–Al bond distances ranging from 3.12–3.33 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Sm and four equivalent Al atoms. There are a spread of Pt–Al bond distances ranging from 2.62–2.70 Å. Al is bonded in a 4-coordinate geometry to six equivalent Sm and four equivalent Pt atoms.
DOI: 10.17188/1731621
title: Materials Data on CeMg2Fe by Materials Project

description: Mg2CeFe 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 four equivalent Ce and four equivalent Fe atoms. All Mg–Ce bond lengths are 3.04 Å. All Mg–Fe bond lengths are 3.04 Å. Ce is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Fe atoms. All Ce–Fe bond lengths are 3.51 Å. Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Ce atoms.
DOI: 10.17188/1731622
title: Materials Data on Pr2CrSe4 by Materials Project

description: Pr2CrSe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pr3+ is bonded to six Se2- atoms to form PrSe6 octahedra that share corners with six equivalent CrSe6 octahedra, edges with six equivalent PrSe6 octahedra, and a faceface with one CrSe6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°. There are a spread of Pr–Se bond distances ranging from 2.93–3.03 Å. Cr2+ is bonded to six Se2- atoms to form CrSe6 octahedra that share corners with twelve equivalent PrSe6 octahedra, edges with two equivalent CrSe6 octahedra, and faces with two equivalent PrSe6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°. There are two shorter (2.57 Å) and four longer (2.78 Å) Cr–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to three equivalent Pr3+ and one Cr2+ atom. In the second Se2- site, Se2- is bonded to three equivalent Pr3+ and two equivalent Cr2+ atoms to form a mixture of distorted edge and corner-sharing SePr3Cr2 square pyramids.
DOI: 10.17188/1731623
title: Materials Data on HfMg3 by Materials Project

description: Mg3Hf is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Hf atoms to form MgHf4Mg8 cuboctahedra that share corners with four equivalent MgHf4Mg8 cuboctahedra, corners with eight equivalent HfMg12 cuboctahedra, edges with twenty-four MgHf4Mg8 cuboctahedra, faces with six equivalent HfMg12 cuboctahedra, and faces with twelve MgHf4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.16 Å. All Mg–Hf bond lengths are 3.15 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Hf atoms to form MgHf4Mg8 cuboctahedra that share corners with twelve equivalent MgHf4Mg8 cuboctahedra, edges with eight equivalent HfMg12 cuboctahedra, edges with sixteen MgHf4Mg8 cuboctahedra, faces with four equivalent HfMg12 cuboctahedra, and faces with fourteen MgHf4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.15 Å. All Mg–Hf bond lengths are 3.16 Å. Hf is bonded to twelve Mg atoms to form HfMg12 cuboctahedra that share corners with four equivalent HfMg12 cuboctahedra, corners with eight equivalent MgHf4Mg8 cuboctahedra, edges with eight equivalent HfMg12 cuboctahedra, edges with sixteen equivalent MgHf4Mg8 cuboctahedra, faces with four equivalent HfMg12 cuboctahedra, and faces with fourteen MgHf4Mg8 cuboctahedra.
DOI: 10.17188/1731624
title: Materials Data on BaSrLa4O8 by Materials Project

description: BaSrLa4O8 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.81–3.04 Å. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.74–3.03 Å. There are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing LaO6 octahedra. The corner-sharing octahedra tilt angles range from 51–67°. There are a spread of La–O bond distances ranging from 2.40–2.49 Å. In the second La3+ site, La3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing LaO6 octahedra. The corner-sharing octahedra tilt angles range from 52–68°. There are a spread of La–O bond distances ranging from 2.34–2.52 Å. In the third La3+ site, La3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing LaO6 octahedra. The corner-sharing octahedra tilt angles range from 52–68°. There are a spread of La–O bond distances ranging from 2.33–2.55 Å. In the fourth La3+ site, La3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing LaO6 octahedra. The corner-sharing octahedra tilt angles range from 51–67°. There are a spread of La–O bond distances ranging from 2.35–2.57 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three La3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three La3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three La3+ atoms to form a mixture of distorted corner and edge-sharing OSr2La3 trigonal bipyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three La3+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Sr2+ and three La3+ atoms to form a mixture of distorted corner and edge-sharing OSr2La3 trigonal bipyramids. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three La3+ atoms. In the seventh O2- site, O2- is bonded to two equivalent Sr2+ and three La3+ atoms to form a mixture of corner and edge-sharing OSr2La3 square pyramids. In the eighth O2- site, O2- is bonded to two equivalent Ba2+ and three La3+ atoms to form a mixture of corner and edge-sharing OBa2La3 square pyramids.