Rb2Cu(OCl2)2 crystallizes in the tetragonal P4_2/mnm space group. Rb(1) is bonded in a body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. O(1) is bonded in a single-bond geometry to one Cu(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Cu(1) atom. In the second Cl site, Cl(2) is bonded to four equivalent Rb(1) and one Cu(1) atom to form a mixture of corner and edge-sharing ClRb4Cu square pyramids.
Rb2Cu(OCl2)2 crystallizes in the tetragonal P4_2/mnm space group. Rb(1) is bonded in a body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. All Rb(1)-Cl(1) bond lengths are 3.42 Å. All Rb(1)-Cl(2) bond lengths are 3.41 Å. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. Both Cu(1)-O(1) bond lengths are 1.76 Å. Both Cu(1)-Cl(1) bond lengths are 2.22 Å. Both Cu(1)-Cl(2) bond lengths are 2.91 Å. O(1) is bonded in a single-bond geometry to one Cu(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Cu(1) atom. In the second Cl site, Cl(2) is bonded to four equivalent Rb(1) and one Cu(1) atom to form a mixture of corner and edge-sharing ClRb4Cu square pyramids.