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DOE OSTI · 1193364

Materials Data on SrVO3 by Materials Project

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Abstract

SrVO3 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 VO6 octahedra. All Sr–O bond lengths are 2.76 Å. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.95 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent V4+ atoms.

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36 MATERIALS SCIENCEcrystal structureO-Sr-VSrVO3

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2014-02-15. Materials Data on SrVO3 by Materials Project. https://doi.org/10.17188/1193364

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