Materials Data on BaI2O by Materials Project
BaOI2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a distorted bent 120 degrees geometry to two equivalent O and four equivalent I atoms. Both Ba–O bond lengths are 2.62 Å. There are a spread of Ba–I bond distances ranging from 3.57–3.70 Å. O is bonded in a trigonal planar geometry to two equivalent Ba and one I atom. The O–I bond length is 1.98 Å. There are two inequivalent I sites. In the first I site, I is bonded in a single-bond geometry to one O atom. In the second I site, I is bonded to four equivalent Ba atoms to form a mixture of edge and corner-sharing IBa4 tetrahedra.
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