Materials Data on BaCaI4 by Materials Project

Kristin Persson
BaCaI4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba2+ is bonded to six I1- atoms to form BaI6 octahedra that share corners with eight equivalent CaI6 octahedra and edges with two equivalent BaI6 octahedra. The corner-sharing octahedra tilt angles range from 38–55°. There are a spread of Ba–I bond distances ranging from 3.43–3.51 Å. Ca2+ is bonded to six I1- atoms to form CaI6 octahedra that share...
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