Materials Data on Cs2BaBr4 by Materials Project
Cs2BaBr4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.51–3.80 Å. Ba2+ is bonded to eight equivalent Br1- atoms to form distorted edge-sharing BaBr8 hexagonal bipyramids. There are four shorter (3.34 Å) and four longer (3.69 Å) Ba–Br bond lengths. Br1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Ba2+ atoms.
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