Materials Data on Cs3Mo2Br9 by Materials Project

Kristin Persson
Cs3Mo2Br9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve Br1- atoms to form CsBr12 cuboctahedra that share corners with nine CsBr12 cuboctahedra, corners with three equivalent MoBr6 octahedra, faces with seven CsBr12 cuboctahedra, and faces with four equivalent MoBr6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Cs–Br bond distances ranging...
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