KBaMg6 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Ba(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted KBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)K2Mg10 cuboctahedra, corners with six equivalent K(1)Ba2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Ba2Mg8 cuboctahedra, edges with two equivalent Ba(1)K2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Ba2Mg8 cuboctahedra, faces with two equivalent K(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Ba2Mg8 cuboctahedra. Ba(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted BaK2Mg10 cuboctahedra that share corners with four equivalent K(1)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)K2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Ba2Mg8 cuboctahedra, edges with two equivalent K(1)Ba2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Ba2Mg8 cuboctahedra, faces with two equivalent K(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Ba2Mg8 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent K(1), two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Ba2Mg8 cuboctahedra that share corners with four equivalent K(1)Ba2Mg10 cuboctahedra, corners with four equivalent Ba(1)K2Mg10 cuboctahedra, corners with ten equivalent Mg(1)K2Ba2Mg8 cuboctahedra, edges with two equivalent K(1)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)K2Mg10 cuboctahedra, edges with two equivalent Mg(1)K2Ba2Mg8 cuboctahedra, faces with two equivalent K(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Ba2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Ba(1), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Mg(2) 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 in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms.
KBaMg6 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Ba(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted KBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)K2Mg10 cuboctahedra, corners with six equivalent K(1)Ba2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Ba2Mg8 cuboctahedra, edges with two equivalent Ba(1)K2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Ba2Mg8 cuboctahedra, faces with two equivalent K(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Ba2Mg8 cuboctahedra. Both K(1)-Ba(1) bond lengths are 3.46 Å. Both K(1)-Mg(3) bond lengths are 3.65 Å. There are two shorter (3.90 Å) and two longer (3.98 Å) K(1)-Mg(1) bond lengths. All K(1)-Mg(2) bond lengths are 3.67 Å. Ba(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted BaK2Mg10 cuboctahedra that share corners with four equivalent K(1)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)K2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Ba2Mg8 cuboctahedra, edges with two equivalent K(1)Ba2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Ba2Mg8 cuboctahedra, faces with two equivalent K(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Ba2Mg8 cuboctahedra. Both Ba(1)-Mg(4) bond lengths are 3.67 Å. There are two shorter (3.91 Å) and two longer (3.97 Å) Ba(1)-Mg(1) bond lengths. All Ba(1)-Mg(2) bond lengths are 3.63 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent K(1), two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Ba2Mg8 cuboctahedra that share corners with four equivalent K(1)Ba2Mg10 cuboctahedra, corners with four equivalent Ba(1)K2Mg10 cuboctahedra, corners with ten equivalent Mg(1)K2Ba2Mg8 cuboctahedra, edges with two equivalent K(1)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)K2Mg10 cuboctahedra, edges with two equivalent Mg(1)K2Ba2Mg8 cuboctahedra, faces with two equivalent K(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Ba2Mg8 cuboctahedra. There is one shorter (3.36 Å) and one longer (3.55 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 3.12 Å. Both Mg(1)-Mg(3) bond lengths are 3.30 Å. Both Mg(1)-Mg(4) bond lengths are 3.25 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Ba(1), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Mg(2) atoms. The Mg(2)-Mg(3) bond length is 3.14 Å. The Mg(2)-Mg(4) bond length is 3.17 Å. There is one shorter (3.43 Å) and one longer (3.48 Å) Mg(2)-Mg(2) 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 3.45 Å. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms.