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DOE OSTI · 1316003

Materials Data on SrCaO3 by Materials Project

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Abstract

SrCaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent CaO6 octahedra. All Sr–O bond lengths are 3.09 Å. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.19 Å. O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Ca atoms.

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36 MATERIALS SCIENCECa-O-Srcrystal structureSrCaO3

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2020-07-23. Materials Data on SrCaO3 by Materials Project. https://doi.org/10.17188/1316003

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