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DOE OSTI · 1268464

Materials Data on CaBeO3 by Materials Project

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Abstract

CaBeO3 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 BeO6 octahedra. All Ca–O bond lengths are 2.56 Å. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.81 Å. O is bonded in a distorted linear geometry to four equivalent Ca and two equivalent Be atoms.

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2020-07-24. Materials Data on CaBeO3 by Materials Project. https://doi.org/10.17188/1268464

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