CsKMg6 crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form CsK2Mg10 cuboctahedra that share corners with six equivalent Cs(1)K2Mg10 cuboctahedra, edges with four equivalent K(1)Cs2Mg10 cuboctahedra, faces with two equivalent Cs(1)K2Mg10 cuboctahedra, and faces with two equivalent K(1)Cs2Mg10 cuboctahedra. K(1) is bonded to two equivalent Cs(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted KCs2Mg10 cuboctahedra that share corners with six equivalent K(1)Cs2Mg10 cuboctahedra, edges with four equivalent Cs(1)K2Mg10 cuboctahedra, faces with two equivalent Cs(1)K2Mg10 cuboctahedra, and faces with two equivalent K(1)Cs2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent K(1), one Mg(1), one Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent K(1), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms.
CsKMg6 crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form CsK2Mg10 cuboctahedra that share corners with six equivalent Cs(1)K2Mg10 cuboctahedra, edges with four equivalent K(1)Cs2Mg10 cuboctahedra, faces with two equivalent Cs(1)K2Mg10 cuboctahedra, and faces with two equivalent K(1)Cs2Mg10 cuboctahedra. Both Cs(1)-K(1) bond lengths are 3.40 Å. Both Cs(1)-Mg(4) bond lengths are 3.92 Å. All Cs(1)-Mg(1) bond lengths are 3.77 Å. There are two shorter (3.52 Å) and two longer (3.83 Å) Cs(1)-Mg(3) bond lengths. K(1) is bonded to two equivalent Cs(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted KCs2Mg10 cuboctahedra that share corners with six equivalent K(1)Cs2Mg10 cuboctahedra, edges with four equivalent Cs(1)K2Mg10 cuboctahedra, faces with two equivalent Cs(1)K2Mg10 cuboctahedra, and faces with two equivalent K(1)Cs2Mg10 cuboctahedra. Both K(1)-Mg(2) bond lengths are 3.92 Å. There are two shorter (3.39 Å) and two longer (3.94 Å) K(1)-Mg(1) bond lengths. All K(1)-Mg(3) bond lengths are 3.74 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent K(1), one Mg(1), one Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. The Mg(1)-Mg(1) bond length is 3.17 Å. The Mg(1)-Mg(2) bond length is 3.50 Å. Both Mg(1)-Mg(3) bond lengths are 3.46 Å. Both Mg(1)-Mg(4) bond lengths are 3.33 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. Both Mg(2)-Mg(4) bond lengths are 3.43 Å. All Mg(2)-Mg(3) bond lengths are 3.34 Å. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent K(1), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Mg(2) atoms. The Mg(3)-Mg(3) bond length is 3.16 Å. The Mg(3)-Mg(4) bond length is 3.52 Å. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms.