Materials Data on BaHBrO by Materials Project
BaHOBr 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 Br1- atoms. There are one shorter (2.64 Å) and two longer (2.66 Å) Ba–O bond lengths. There are two shorter (3.52 Å) and three longer (3.53 Å) Ba–Br bond lengths. 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. Br1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms.
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