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DOE OSTI · 1349634

Materials Data on SrSiO3 by Materials Project

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Abstract

SrSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Sr–O bond lengths are 2.62 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.85 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Si4+ atoms.

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36 MATERIALS SCIENCEcrystal structureO-Si-SrSrSiO3

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2020-07-16. Materials Data on SrSiO3 by Materials Project. https://doi.org/10.17188/1349634

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