Materials Data on BaHBr by Materials Project
BaHBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to four equivalent H1- and five equivalent Br1- atoms. All Ba–H bond lengths are 2.71 Å. There are four shorter (3.42 Å) and one longer (3.48 Å) Ba–Br bond lengths. H1- is bonded to four equivalent Ba2+ atoms to form a mixture of corner and edge-sharing HBa4 tetrahedra. Br1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms.
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