Materials Data on BaVO3 by Materials Project

Kristin Persson
BaVO3 is (Cubic) Perovskite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent VO6 octahedra, faces with seven BaO12 cuboctahedra, and faces with seven VO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of...
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