CsI2Br crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent I(1), four equivalent I(2), and four equivalent Br(1) atoms. There are two inequivalent I sites. In the first I site, I(2) is bonded to four equivalent Cs(1) and one I(1) atom to form a mixture of corner and edge-sharing ICs4I trigonal bipyramids. In the second I site, I(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one I(2), and one Br(1) atom. Br(1) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one I(1) atom.
CsI2Br crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent I(1), four equivalent I(2), and four equivalent Br(1) atoms. Both Cs(1)-I(1) bond lengths are 4.04 Å. There are a spread of Cs(1)-I(2) bond distances ranging from 3.98-4.14 Å. There are a spread of Cs(1)-Br(1) bond distances ranging from 3.66-3.81 Å. There are two inequivalent I sites. In the first I site, I(2) is bonded to four equivalent Cs(1) and one I(1) atom to form a mixture of corner and edge-sharing ICs4I trigonal bipyramids. The I(2)-I(1) bond length is 2.84 Å. In the second I site, I(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one I(2), and one Br(1) atom. The I(1)-Br(1) bond length is 2.86 Å. Br(1) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one I(1) atom.