Rb3I2Br is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent I(1) and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing RbI4Br2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Rb site, Rb(2) is bonded to four equivalent I(1) and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing RbI4Br2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. I(1) is bonded to two equivalent Rb(2) and four equivalent Rb(1) atoms to form IRb6 octahedra that share corners with two equivalent Br(1)Rb6 octahedra, corners with four equivalent I(1)Rb6 octahedra, edges with five equivalent Br(1)Rb6 octahedra, and edges with seven equivalent I(1)Rb6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Br(1) is bonded to two equivalent Rb(2) and four equivalent Rb(1) atoms to form BrRb6 octahedra that share corners with two equivalent Br(1)Rb6 octahedra, corners with four equivalent I(1)Rb6 octahedra, edges with two equivalent Br(1)Rb6 octahedra, and edges with ten equivalent I(1)Rb6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°.
Rb3I2Br is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent I(1) and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing RbI4Br2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are two shorter (3.64 Å) and two longer (3.72 Å) Rb(1)-I(1) bond lengths. Both Rb(1)-Br(1) bond lengths are 3.49 Å. In the second Rb site, Rb(2) is bonded to four equivalent I(1) and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing RbI4Br2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. All Rb(2)-I(1) bond lengths are 3.65 Å. Both Rb(2)-Br(1) bond lengths are 3.64 Å. I(1) is bonded to two equivalent Rb(2) and four equivalent Rb(1) atoms to form IRb6 octahedra that share corners with two equivalent Br(1)Rb6 octahedra, corners with four equivalent I(1)Rb6 octahedra, edges with five equivalent Br(1)Rb6 octahedra, and edges with seven equivalent I(1)Rb6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Br(1) is bonded to two equivalent Rb(2) and four equivalent Rb(1) atoms to form BrRb6 octahedra that share corners with two equivalent Br(1)Rb6 octahedra, corners with four equivalent I(1)Rb6 octahedra, edges with two equivalent Br(1)Rb6 octahedra, and edges with ten equivalent I(1)Rb6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°.