RbMg6Zr crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form RbMg12 cuboctahedra that share corners with four equivalent Rb(1)Mg12 cuboctahedra, corners with eight equivalent Zr(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, faces with two equivalent Rb(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, and faces with four equivalent Zr(1)Mg12 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Rb(1), eight equivalent Mg(2), and two equivalent Zr(1) atoms to form distorted MgRb2Mg8Zr2 cuboctahedra that share corners with twelve equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, edges with four equivalent Rb(1)Mg12 cuboctahedra, edges with four equivalent Zr(1)Mg12 cuboctahedra, faces with two equivalent Rb(1)Mg12 cuboctahedra, faces with two equivalent Zr(1)Mg12 cuboctahedra, and faces with six equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Rb(1), two equivalent Mg(2), four equivalent Mg(1), and two equivalent Zr(1) atoms. Zr(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form ZrMg12 cuboctahedra that share corners with four equivalent Zr(1)Mg12 cuboctahedra, corners with eight equivalent Rb(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, faces with two equivalent Zr(1)Mg12 cuboctahedra, faces with four equivalent Rb(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra.
RbMg6Zr crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form RbMg12 cuboctahedra that share corners with four equivalent Rb(1)Mg12 cuboctahedra, corners with eight equivalent Zr(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, faces with two equivalent Rb(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, and faces with four equivalent Zr(1)Mg12 cuboctahedra. All Rb(1)-Mg(1) bond lengths are 3.44 Å. All Rb(1)-Mg(2) bond lengths are 3.59 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Rb(1), eight equivalent Mg(2), and two equivalent Zr(1) atoms to form distorted MgRb2Mg8Zr2 cuboctahedra that share corners with twelve equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, edges with four equivalent Rb(1)Mg12 cuboctahedra, edges with four equivalent Zr(1)Mg12 cuboctahedra, faces with two equivalent Rb(1)Mg12 cuboctahedra, faces with two equivalent Zr(1)Mg12 cuboctahedra, and faces with six equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra. All Mg(1)-Mg(2) bond lengths are 3.37 Å. Both Mg(1)-Zr(1) bond lengths are 3.44 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Rb(1), two equivalent Mg(2), four equivalent Mg(1), and two equivalent Zr(1) atoms. Both Mg(2)-Mg(2) bond lengths are 3.00 Å. Both Mg(2)-Zr(1) bond lengths are 3.14 Å. Zr(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form ZrMg12 cuboctahedra that share corners with four equivalent Zr(1)Mg12 cuboctahedra, corners with eight equivalent Rb(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, faces with two equivalent Zr(1)Mg12 cuboctahedra, faces with four equivalent Rb(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra.