KLiMg6 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form KLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)K2Mg10 cuboctahedra, corners with six equivalent K(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with two equivalent Li(1)K2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, faces with two equivalent K(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra. Li(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form LiK2Mg10 cuboctahedra that share corners with four equivalent K(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)K2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with two equivalent K(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent K(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent K(1), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Li2Mg8 cuboctahedra that share corners with four equivalent K(1)Li2Mg10 cuboctahedra, corners with four equivalent Li(1)K2Mg10 cuboctahedra, corners with ten equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with two equivalent K(1)Li2Mg10 cuboctahedra, edges with two equivalent Li(1)K2Mg10 cuboctahedra, edges with two equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent K(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 11-coordinate geometry to two equivalent K(1), two equivalent Li(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Li(1)K2Mg10 cuboctahedra, edges with eight equivalent Mg(1)K2Li2Mg8 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, and faces with six equivalent K(1)Li2Mg10 cuboctahedra.
KLiMg6 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form KLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)K2Mg10 cuboctahedra, corners with six equivalent K(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with two equivalent Li(1)K2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, faces with two equivalent K(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra. Both K(1)-Li(1) bond lengths are 3.24 Å. Both K(1)-Mg(3) bond lengths are 3.41 Å. There are two shorter (3.38 Å) and two longer (3.41 Å) K(1)-Mg(1) bond lengths. All K(1)-Mg(2) bond lengths are 3.39 Å. Li(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form LiK2Mg10 cuboctahedra that share corners with four equivalent K(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)K2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with two equivalent K(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent K(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra. Both Li(1)-Mg(4) bond lengths are 3.35 Å. There are two shorter (3.37 Å) and two longer (3.42 Å) Li(1)-Mg(1) bond lengths. All Li(1)-Mg(2) bond lengths are 3.30 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent K(1), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Li2Mg8 cuboctahedra that share corners with four equivalent K(1)Li2Mg10 cuboctahedra, corners with four equivalent Li(1)K2Mg10 cuboctahedra, corners with ten equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with two equivalent K(1)Li2Mg10 cuboctahedra, edges with two equivalent Li(1)K2Mg10 cuboctahedra, edges with two equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent K(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra. There is one shorter (3.22 Å) and one longer (3.27 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 3.31 Å. Both Mg(1)-Mg(3) bond lengths are 3.29 Å. Both Mg(1)-Mg(4) bond lengths are 3.34 Å. In the second Mg site, Mg(2) is bonded in a 11-coordinate geometry to two equivalent K(1), two equivalent Li(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. The Mg(2)-Mg(3) bond length is 3.21 Å. There is one shorter (3.08 Å) and one longer (3.41 Å) Mg(2)-Mg(2) bond length. There is one shorter (3.39 Å) and one longer (3.40 Å) Mg(2)-Mg(4) bond length. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. Both Mg(3)-Mg(4) bond lengths are 3.25 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Li(1)K2Mg10 cuboctahedra, edges with eight equivalent Mg(1)K2Li2Mg8 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, and faces with six equivalent K(1)Li2Mg10 cuboctahedra.