Materials Data on BaSiO3 by Materials Project

Kristin Persson
BaSiO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to eight O2- atoms to form BaO8 hexagonal bipyramids that share corners with two equivalent BaO8 hexagonal bipyramids, corners with two equivalent SiO4 tetrahedra, edges with six equivalent BaO8 hexagonal bipyramids, and edges with four SiO4 tetrahedra. There are a spread of Ba–O bond distances ranging from 2.73–2.88 Å....
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