KMg6Mo crystallizes in the hexagonal P-6m2 space group. K(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form KMg12 cuboctahedra that share corners with six equivalent K(1)Mg12 cuboctahedra, edges with twelve equivalent Mg(2)K2Mg8Mo2 cuboctahedra, faces with two equivalent K(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)K2Mg8Mo2 cuboctahedra, and faces with six equivalent Mo(1)Mg12 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent K(1), four equivalent Mg(2), and two equivalent Mo(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent K(1), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Mo(1) atoms to form distorted MgK2Mg8Mo2 cuboctahedra that share corners with four equivalent Mo(1)Mg12 cuboctahedra, corners with fourteen equivalent Mg(2)K2Mg8Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg12 cuboctahedra, edges with four equivalent K(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)K2Mg8Mo2 cuboctahedra, faces with two equivalent K(1)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg12 cuboctahedra, and faces with six equivalent Mg(2)K2Mg8Mo2 cuboctahedra. Mo(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form MoMg12 cuboctahedra that share corners with six equivalent Mo(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)K2Mg8Mo2 cuboctahedra, edges with six equivalent Mg(2)K2Mg8Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg12 cuboctahedra, faces with six equivalent K(1)Mg12 cuboctahedra, and faces with six equivalent Mg(2)K2Mg8Mo2 cuboctahedra.
KMg6Mo crystallizes in the hexagonal P-6m2 space group. K(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form KMg12 cuboctahedra that share corners with six equivalent K(1)Mg12 cuboctahedra, edges with twelve equivalent Mg(2)K2Mg8Mo2 cuboctahedra, faces with two equivalent K(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)K2Mg8Mo2 cuboctahedra, and faces with six equivalent Mo(1)Mg12 cuboctahedra. All K(1)-Mg(1) bond lengths are 3.21 Å. All K(1)-Mg(2) bond lengths are 3.20 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent K(1), four equivalent Mg(2), and two equivalent Mo(1) atoms. All Mg(1)-Mg(2) bond lengths are 3.18 Å. Both Mg(1)-Mo(1) bond lengths are 3.05 Å. In the second Mg site, Mg(2) is bonded to two equivalent K(1), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Mo(1) atoms to form distorted MgK2Mg8Mo2 cuboctahedra that share corners with four equivalent Mo(1)Mg12 cuboctahedra, corners with fourteen equivalent Mg(2)K2Mg8Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg12 cuboctahedra, edges with four equivalent K(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)K2Mg8Mo2 cuboctahedra, faces with two equivalent K(1)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg12 cuboctahedra, and faces with six equivalent Mg(2)K2Mg8Mo2 cuboctahedra. There are two shorter (3.04 Å) and two longer (3.37 Å) Mg(2)-Mg(2) bond lengths. Both Mg(2)-Mo(1) bond lengths are 3.20 Å. Mo(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form MoMg12 cuboctahedra that share corners with six equivalent Mo(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)K2Mg8Mo2 cuboctahedra, edges with six equivalent Mg(2)K2Mg8Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg12 cuboctahedra, faces with six equivalent K(1)Mg12 cuboctahedra, and faces with six equivalent Mg(2)K2Mg8Mo2 cuboctahedra.