Materials Data on Cs2WBr6 by Materials Project
Cs2WBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent WBr6 octahedra. All Cs–Br bond lengths are 3.94 Å. W4+ is bonded to six equivalent Br1- atoms to form WBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All W–Br bond lengths are 2.56 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one W4+ atom.
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