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DOE OSTI · 1686048

Materials Data on CaInO3 by Materials Project

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Abstract

CaInO3 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 CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent InO6 octahedra. All Ca–O bond lengths are 2.94 Å. In is bonded to six equivalent O atoms to form InO6 octahedra that share corners with six equivalent InO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–O bond lengths are 2.08 Å. O is bonded in a distorted linear geometry to four equivalent Ca and two equivalent In atoms.

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36 MATERIALS SCIENCECa-In-OCaInO3crystal structure

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2020-05-02. Materials Data on CaInO3 by Materials Project. https://doi.org/10.17188/1686048

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