Cs6OBr4 crystallizes in the trigonal R-3c space group. Cs(1) is bonded in a 6-coordinate geometry to one O(1), one Br(2), and four equivalent Br(1) atoms. O(1) is bonded in an octahedral geometry to six equivalent Cs(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 8-coordinate geometry to eight equivalent Cs(1) atoms. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to six equivalent Cs(1) atoms.
Cs6OBr4 crystallizes in the trigonal R-3c space group. Cs(1) is bonded in a 6-coordinate geometry to one O(1), one Br(2), and four equivalent Br(1) atoms. The Cs(1)-O(1) bond length is 2.89 Å. The Cs(1)-Br(2) bond length is 3.57 Å. There are a spread of Cs(1)-Br(1) bond distances ranging from 3.69-3.95 Å. O(1) is bonded in an octahedral geometry to six equivalent Cs(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 8-coordinate geometry to eight equivalent Cs(1) atoms. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to six equivalent Cs(1) atoms.