KMg14Ga crystallizes in the hexagonal P-6m2 space group. K(1) is bonded to six equivalent Mg(1) and six Mg(3,3) atoms to form KMg12 cuboctahedra that share corners with six equivalent K(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Mg10Ga2 cuboctahedra, edges with six equivalent Mg(1)K2Mg10 cuboctahedra, faces with two equivalent Ga(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)K2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgK2Mg10 cuboctahedra that share corners with four equivalent Ga(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)K2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Mg10Ga2 cuboctahedra, edges with two equivalent K(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)K2Mg10 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent K(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(1)K2Mg10 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(2), four equivalent Mg(3), and two equivalent Ga(1) atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent K(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg10Ga2 cuboctahedra, corners with eight equivalent Mg(1)K2Mg10 cuboctahedra, edges with two equivalent Ga(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Ga(1)Mg12 cuboctahedra, and faces with four equivalent Mg(2)Mg10Ga2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to one K(1); two equivalent Mg(1); two equivalent Mg(2); two equivalent Mg(4); four Mg(3,3); and one Ga(1) atom. In the fourth Mg site, Mg(3) is bonded in a 12-coordinate geometry to one K(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), and one Ga(1) atom. In the fifth Mg site, Mg(4) is bonded to three equivalent Mg(1); three equivalent Mg(2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with six equivalent Mg(1)K2Mg10 cuboctahedra, edges with six equivalent Mg(2)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent K(1)Mg12 cuboctahedra, faces with three equivalent Mg(1)K2Mg10 cuboctahedra, faces with three equivalent Mg(2)Mg10Ga2 cuboctahedra, and faces with three equivalent Ga(1)Mg12 cuboctahedra. Ga(1) is bonded to six equivalent Mg(2) and six Mg(3,3) atoms to form GaMg12 cuboctahedra that share corners with six equivalent Ga(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)K2Mg10 cuboctahedra, edges with six equivalent Mg(2)Mg10Ga2 cuboctahedra, faces with two equivalent K(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)Mg10Ga2 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra.
KMg14Ga crystallizes in the hexagonal P-6m2 space group. K(1) is bonded to six equivalent Mg(1) and six Mg(3,3) atoms to form KMg12 cuboctahedra that share corners with six equivalent K(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Mg10Ga2 cuboctahedra, edges with six equivalent Mg(1)K2Mg10 cuboctahedra, faces with two equivalent Ga(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)K2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. All K(1)-Mg(1) bond lengths are 3.22 Å. All K(1)-Mg(3,3) bond lengths are 3.39 Å. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgK2Mg10 cuboctahedra that share corners with four equivalent Ga(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)K2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Mg10Ga2 cuboctahedra, edges with two equivalent K(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)K2Mg10 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent K(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(1)K2Mg10 cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.18 Å. There are two shorter (3.15 Å) and two longer (3.28 Å) Mg(1)-Mg(1) bond lengths. All Mg(1)-Mg(3) bond lengths are 3.37 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(2), four equivalent Mg(3), and two equivalent Ga(1) atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent K(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg10Ga2 cuboctahedra, corners with eight equivalent Mg(1)K2Mg10 cuboctahedra, edges with two equivalent Ga(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Ga(1)Mg12 cuboctahedra, and faces with four equivalent Mg(2)Mg10Ga2 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.25 Å. There are two shorter (3.12 Å) and two longer (3.31 Å) Mg(2)-Mg(2) bond lengths. All Mg(2)-Mg(3) bond lengths are 3.07 Å. Both Mg(2)-Ga(1) bond lengths are 3.22 Å. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to one K(1); two equivalent Mg(1); two equivalent Mg(2); two equivalent Mg(4); four Mg(3,3); and one Ga(1) atom. Both Mg(3)-Mg(4) bond lengths are 3.23 Å. There are two shorter (3.20 Å) and two longer (3.23 Å) Mg(3)-Mg(3,3) bond lengths. The Mg(3)-Ga(1) bond length is 3.06 Å. In the fourth Mg site, Mg(3) is bonded in a 12-coordinate geometry to one K(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), and one Ga(1) atom. Both Mg(3)-Mg(1) bond lengths are 3.37 Å. Both Mg(3)-Mg(2) bond lengths are 3.07 Å. Both Mg(3)-Mg(4) bond lengths are 3.23 Å. The Mg(3)-Ga(1) bond length is 3.06 Å. In the fifth Mg site, Mg(4) is bonded to three equivalent Mg(1); three equivalent Mg(2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with six equivalent Mg(1)K2Mg10 cuboctahedra, edges with six equivalent Mg(2)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent K(1)Mg12 cuboctahedra, faces with three equivalent Mg(1)K2Mg10 cuboctahedra, faces with three equivalent Mg(2)Mg10Ga2 cuboctahedra, and faces with three equivalent Ga(1)Mg12 cuboctahedra. Ga(1) is bonded to six equivalent Mg(2) and six Mg(3,3) atoms to form GaMg12 cuboctahedra that share corners with six equivalent Ga(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)K2Mg10 cuboctahedra, edges with six equivalent Mg(2)Mg10Ga2 cuboctahedra, faces with two equivalent K(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)Mg10Ga2 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra.