CsCu2Br3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Br(1) and six equivalent Br(2) atoms. Cu(1) is bonded to two equivalent Br(1) and two equivalent Br(2) atoms to form a mixture of corner and edge-sharing CuBr4 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1) and four equivalent Cu(1) atoms. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Cu(1) atoms.
CsCu2Br3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Br(1) and six equivalent Br(2) atoms. Both Cs(1)-Br(1) bond lengths are 3.77 Å. There are four shorter (3.64 Å) and two longer (3.80 Å) Cs(1)-Br(2) bond lengths. Cu(1) is bonded to two equivalent Br(1) and two equivalent Br(2) atoms to form a mixture of corner and edge-sharing CuBr4 tetrahedra. Both Cu(1)-Br(1) bond lengths are 2.54 Å. Both Cu(1)-Br(2) bond lengths are 2.43 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1) and four equivalent Cu(1) atoms. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Cu(1) atoms.