Rb3OCl crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a linear geometry to one O(1), one O(2), one Cl(2), and two equivalent Cl(1) atoms. In the second Rb site, Rb(2) is bonded in a distorted L-shaped geometry to two equivalent O(1) and two equivalent Cl(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Rb(1) and three equivalent Rb(2) atoms to form a mixture of corner and face-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded to six equivalent Rb(1) atoms to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted hexagonal planar geometry to six equivalent Rb(1) atoms. In the second Cl site, Cl(2) is bonded in a 12-coordinate geometry to six equivalent Rb(1) and six equivalent Rb(2) atoms.
Rb3OCl crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a linear geometry to one O(1), one O(2), one Cl(2), and two equivalent Cl(1) atoms. The Rb(1)-O(1) bond length is 2.73 Å. The Rb(1)-O(2) bond length is 2.75 Å. The Rb(1)-Cl(2) bond length is 3.99 Å. Both Rb(1)-Cl(1) bond lengths are 3.88 Å. In the second Rb site, Rb(2) is bonded in a distorted L-shaped geometry to two equivalent O(1) and two equivalent Cl(2) atoms. Both Rb(2)-O(1) bond lengths are 2.71 Å. Both Rb(2)-Cl(2) bond lengths are 3.88 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Rb(1) and three equivalent Rb(2) atoms to form a mixture of corner and face-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded to six equivalent Rb(1) atoms to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted hexagonal planar geometry to six equivalent Rb(1) atoms. In the second Cl site, Cl(2) is bonded in a 12-coordinate geometry to six equivalent Rb(1) and six equivalent Rb(2) atoms.