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Materials Data on BaClO by Materials Project

BaOCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to three equivalent O and five equivalent Cl atoms. There are one shorter (2.59 Å) and two longer (2.72 Å) Ba–O bond lengths. There are a spread of Ba–Cl bond distances ranging from 3.22–3.27 Å. O is bonded in a distorted trigonal planar geometry to three equivalent Ba atoms. Cl is bonded to five equivalent Ba atoms to form a mixture of distorted corner and edge-sharing ClBa5 trigonal bipyramids.

36 MATERIALS SCIENCE↗