Materials Data on BaHIO by Materials Project
BaHOI crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to three equivalent O2- and five equivalent I1- atoms. All Ba–O bond lengths are 2.66 Å. There are a spread of Ba–I bond distances ranging from 3.73–3.75 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one H1+ atom. I1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms.
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