Mg14FeCd crystallizes in the hexagonal P-6m2 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(3,3); and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Cd(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Mg10Fe2 cuboctahedra; corners with eight Mg(2,2)Mg10Cd2 cuboctahedra; edges with two equivalent Fe(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(2)Mg10Cd2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Fe(1)Mg12 cuboctahedra; and faces with four equivalent Mg(1)Mg10Fe2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(2,2); four Mg(3,3); and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with four equivalent Fe(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Cd2 cuboctahedra; corners with eight equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with two equivalent Cd(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg10Cd2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; and faces with four Mg(2,2)Mg10Cd2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(2), four equivalent Mg(3), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with four equivalent Fe(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg10Cd2 cuboctahedra, corners with eight equivalent Mg(1)Mg10Fe2 cuboctahedra, edges with two equivalent Cd(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Cd(1)Mg12 cuboctahedra, and faces with four equivalent Mg(2)Mg10Cd2 cuboctahedra. In the fourth Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1); two Mg(2,2); two equivalent Mg(4); four Mg(3,3); one Fe(1); and one Cd(1) atom. In the fifth Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), one Fe(1), and one Cd(1) atom. In the sixth Mg site, Mg(4) is bonded to three equivalent Mg(1); three Mg(2,2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; edges with six Mg(2,2)Mg10Cd2 cuboctahedra; edges with six equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three Mg(2,2)Mg10Cd2 cuboctahedra; faces with three equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with three equivalent Fe(1)Mg12 cuboctahedra; and faces with three equivalent Cd(1)Mg12 cuboctahedra. Fe(1) is bonded to six equivalent Mg(1) and six Mg(3,3) atoms to form FeMg12 cuboctahedra that share corners with six equivalent Fe(1)Mg12 cuboctahedra; corners with twelve Mg(2,2)Mg10Cd2 cuboctahedra; edges with six equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with six equivalent Mg(1)Mg10Fe2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. Cd(1) is bonded to six Mg(2,2) and six Mg(3,3) atoms to form CdMg12 cuboctahedra that share corners with six equivalent Cd(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with six Mg(2,2)Mg10Cd2 cuboctahedra; faces with two equivalent Fe(1)Mg12 cuboctahedra; faces with six Mg(2,2)Mg10Cd2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra.
Mg14FeCd crystallizes in the hexagonal P-6m2 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(3,3); and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Cd(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Mg10Fe2 cuboctahedra; corners with eight Mg(2,2)Mg10Cd2 cuboctahedra; edges with two equivalent Fe(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(2)Mg10Cd2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Fe(1)Mg12 cuboctahedra; and faces with four equivalent Mg(1)Mg10Fe2 cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.08 Å. There are two shorter (3.12 Å) and two longer (3.17 Å) Mg(1)-Mg(1) bond lengths. All Mg(1)-Mg(3,3) bond lengths are 3.01 Å. Both Mg(1)-Fe(1) bond lengths are 3.14 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(2,2); four Mg(3,3); and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with four equivalent Fe(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Cd2 cuboctahedra; corners with eight equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with two equivalent Cd(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg10Cd2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; and faces with four Mg(2,2)Mg10Cd2 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.06 Å. There are two shorter (3.12 Å) and two longer (3.17 Å) Mg(2)-Mg(2,2) bond lengths. All Mg(2)-Mg(3,3) bond lengths are 3.19 Å. Both Mg(2)-Cd(1) bond lengths are 3.14 Å. In the third Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(2), four equivalent Mg(3), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with four equivalent Fe(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg10Cd2 cuboctahedra, corners with eight equivalent Mg(1)Mg10Fe2 cuboctahedra, edges with two equivalent Cd(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Cd(1)Mg12 cuboctahedra, and faces with four equivalent Mg(2)Mg10Cd2 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.06 Å. All Mg(2)-Mg(3) bond lengths are 3.19 Å. Both Mg(2)-Cd(1) bond lengths are 3.14 Å. In the fourth Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1); two Mg(2,2); two equivalent Mg(4); four Mg(3,3); one Fe(1); and one Cd(1) atom. Both Mg(3)-Mg(4) bond lengths are 3.15 Å. There are two shorter (3.01 Å) and two longer (3.28 Å) Mg(3)-Mg(3,3) bond lengths. The Mg(3)-Fe(1) bond length is 2.93 Å. The Mg(3)-Cd(1) bond length is 3.12 Å. In the fifth Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), one Fe(1), and one Cd(1) atom. Both Mg(3)-Mg(4) bond lengths are 3.15 Å. The Mg(3)-Fe(1) bond length is 2.93 Å. The Mg(3)-Cd(1) bond length is 3.12 Å. In the sixth Mg site, Mg(4) is bonded to three equivalent Mg(1); three Mg(2,2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; edges with six Mg(2,2)Mg10Cd2 cuboctahedra; edges with six equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three Mg(2,2)Mg10Cd2 cuboctahedra; faces with three equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with three equivalent Fe(1)Mg12 cuboctahedra; and faces with three equivalent Cd(1)Mg12 cuboctahedra. Fe(1) is bonded to six equivalent Mg(1) and six Mg(3,3) atoms to form FeMg12 cuboctahedra that share corners with six equivalent Fe(1)Mg12 cuboctahedra; corners with twelve Mg(2,2)Mg10Cd2 cuboctahedra; edges with six equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with six equivalent Mg(1)Mg10Fe2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. Cd(1) is bonded to six Mg(2,2) and six Mg(3,3) atoms to form CdMg12 cuboctahedra that share corners with six equivalent Cd(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with six Mg(2,2)Mg10Cd2 cuboctahedra; faces with two equivalent Fe(1)Mg12 cuboctahedra; faces with six Mg(2,2)Mg10Cd2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra.