KMg6Bi crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Bi(1) atoms to form KMg10Bi2 cuboctahedra that share corners with four equivalent Bi(1)K2Mg10 cuboctahedra, corners with six equivalent K(1)Mg10Bi2 cuboctahedra, corners with eight equivalent Mg(1)K2Mg8Bi2 cuboctahedra, edges with two equivalent Bi(1)K2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Mg8Bi2 cuboctahedra, faces with two equivalent K(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Mg8Bi2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Bi(1) atoms to form distorted MgK2Mg8Bi2 cuboctahedra that share corners with four equivalent K(1)Mg10Bi2 cuboctahedra, corners with four equivalent Bi(1)K2Mg10 cuboctahedra, corners with ten equivalent Mg(1)K2Mg8Bi2 cuboctahedra, edges with two equivalent K(1)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(1)K2Mg8Bi2 cuboctahedra, edges with two equivalent Bi(1)K2Mg10 cuboctahedra, faces with two equivalent K(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Mg8Bi2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mg(3), two equivalent Mg(1), and two equivalent Bi(1) 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 distorted water-like geometry to two equivalent Mg(3), four equivalent Mg(1), and two equivalent Bi(1) atoms. Bi(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form BiK2Mg10 cuboctahedra that share corners with four equivalent K(1)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)K2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Mg8Bi2 cuboctahedra, edges with two equivalent K(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(1)K2Mg8Bi2 cuboctahedra, faces with two equivalent K(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Mg8Bi2 cuboctahedra.
KMg6Bi crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Bi(1) atoms to form KMg10Bi2 cuboctahedra that share corners with four equivalent Bi(1)K2Mg10 cuboctahedra, corners with six equivalent K(1)Mg10Bi2 cuboctahedra, corners with eight equivalent Mg(1)K2Mg8Bi2 cuboctahedra, edges with two equivalent Bi(1)K2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Mg8Bi2 cuboctahedra, faces with two equivalent K(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Mg8Bi2 cuboctahedra. Both K(1)-Mg(3) bond lengths are 3.40 Å. There are two shorter (3.44 Å) and two longer (3.49 Å) K(1)-Mg(1) bond lengths. All K(1)-Mg(2) bond lengths are 3.35 Å. Both K(1)-Bi(1) bond lengths are 3.33 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Bi(1) atoms to form distorted MgK2Mg8Bi2 cuboctahedra that share corners with four equivalent K(1)Mg10Bi2 cuboctahedra, corners with four equivalent Bi(1)K2Mg10 cuboctahedra, corners with ten equivalent Mg(1)K2Mg8Bi2 cuboctahedra, edges with two equivalent K(1)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(1)K2Mg8Bi2 cuboctahedra, edges with two equivalent Bi(1)K2Mg10 cuboctahedra, faces with two equivalent K(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Mg8Bi2 cuboctahedra. There is one shorter (3.28 Å) and one longer (3.37 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 3.30 Å. Both Mg(1)-Mg(3) bond lengths are 3.26 Å. Both Mg(1)-Mg(4) bond lengths are 3.30 Å. There is one shorter (3.42 Å) and one longer (3.51 Å) Mg(1)-Bi(1) bond length. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mg(3), two equivalent Mg(1), and two equivalent Bi(1) atoms. The Mg(2)-Mg(3) bond length is 3.29 Å. Both Mg(2)-Bi(1) bond lengths are 3.30 Å. 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 3.33 Å. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to two equivalent Mg(3), four equivalent Mg(1), and two equivalent Bi(1) atoms. Both Mg(4)-Bi(1) bond lengths are 3.42 Å. Bi(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form BiK2Mg10 cuboctahedra that share corners with four equivalent K(1)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)K2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Mg8Bi2 cuboctahedra, edges with two equivalent K(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(1)K2Mg8Bi2 cuboctahedra, faces with two equivalent K(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Mg8Bi2 cuboctahedra.