Materials Data on CaHBr by Materials Project
CaHBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CaHBr sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 8-coordinate geometry to four equivalent H1- and four equivalent Br1- atoms. All Ca–H bond lengths are 2.32 Å. All Ca–Br bond lengths are 3.04 Å. H1- is bonded to four equivalent Ca2+ atoms to form a mixture of edge and corner-sharing HCa4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Ca2+ atoms.
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