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DOE OSTI · 1739542

Materials Data on BaInO3 by Materials Project

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Abstract

BaInO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent InO6 octahedra. All Ba–O bond lengths are 3.03 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 BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–O bond lengths are 2.14 Å. O is bonded to four equivalent Ba and two equivalent In atoms to form a mixture of distorted edge, face, and corner-sharing OBa4In2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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36 MATERIALS SCIENCEBa-In-OBaInO3crystal structure

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2020-05-02. Materials Data on BaInO3 by Materials Project. https://doi.org/10.17188/1739542

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