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DOE OSTI · 1653573

Materials Data on BaErO3 by Materials Project

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Abstract

BaErO3 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 ErO6 octahedra. All Ba–O bond lengths are 3.11 Å. Er is bonded to six equivalent O atoms to form ErO6 octahedra that share corners with six equivalent ErO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Er–O bond lengths are 2.20 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Er atoms.

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2020-05-03. Materials Data on BaErO3 by Materials Project. https://doi.org/10.17188/1653573

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