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DOE OSTI · 1685561

Materials Data on CaLaO3 by Materials Project

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Abstract

CaLaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent O atoms to form distorted CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent LaO6 octahedra. All Ca–O bond lengths are 3.19 Å. La is bonded to six equivalent O atoms to form LaO6 octahedra that share corners with six equivalent LaO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–O bond lengths are 2.25 Å. O is bonded in a linear geometry to four equivalent Ca and two equivalent La atoms.

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36 MATERIALS SCIENCECa-La-OCaLaO3crystal structure

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2020-05-02. Materials Data on CaLaO3 by Materials Project. https://doi.org/10.17188/1685561

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