Mg14NiGa crystallizes in the hexagonal P-6m2 space group. There are five 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 Ni(1) atoms to form distorted MgMg10Ni2 cuboctahedra that share corners with four equivalent Ga(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Mg10Ni2 cuboctahedra; corners with eight equivalent Mg(2)Mg10Ga2 cuboctahedra; edges with two equivalent Ni(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(3,3)Mg10GaNi cuboctahedra; faces with two equivalent Mg(2)Mg10Ga2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Ni(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Mg10Ni2 cuboctahedra; and faces with ten Mg(3,3)Mg10GaNi cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four equivalent Mg(2); four Mg(3,3); and two equivalent Ga(1) atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent Ni(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Ga2 cuboctahedra; corners with eight equivalent Mg(1)Mg10Ni2 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; edges with eight Mg(3,3)Mg10GaNi cuboctahedra; faces with two equivalent Mg(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Ga(1)Mg12 cuboctahedra; faces with four equivalent Mg(2)Mg10Ga2 cuboctahedra; and faces with ten Mg(3,3)Mg10GaNi cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1); two equivalent Mg(2); two equivalent Mg(4); four Mg(3,3); one Ni(1); and one Ga(1) atom to form distorted MgMg10GaNi cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)Mg10GaNi cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Ni(1)Mg12 cuboctahedra; edges with two equivalent Ga(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Ga2 cuboctahedra; edges with four Mg(3,3)Mg10GaNi cuboctahedra; edges with four equivalent Mg(1)Mg10Ni2 cuboctahedra;  a faceface with one Ni(1)Mg12 cuboctahedra;  a faceface with one Ga(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five equivalent Mg(2)Mg10Ga2 cuboctahedra; faces with five equivalent Mg(1)Mg10Ni2 cuboctahedra; and faces with six Mg(3,3)Mg10GaNi cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), one Ni(1), and one Ga(1) atom to form distorted MgMg10GaNi cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)Mg10GaNi cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Ni(1)Mg12 cuboctahedra; edges with two equivalent Ga(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Ga2 cuboctahedra; edges with four equivalent Mg(3)Mg10GaNi cuboctahedra; edges with four equivalent Mg(1)Mg10Ni2 cuboctahedra;  a faceface with one Ni(1)Mg12 cuboctahedra;  a faceface with one Ga(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five equivalent Mg(2)Mg10Ga2 cuboctahedra; faces with five equivalent Mg(1)Mg10Ni2 cuboctahedra; and faces with six Mg(3,3)Mg10GaNi cuboctahedra. 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; corners with twelve Mg(3,3)Mg10GaNi cuboctahedra; edges with six equivalent Mg(2)Mg10Ga2 cuboctahedra; edges with six Mg(3,3)Mg10GaNi cuboctahedra; edges with six equivalent Mg(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Mg(2)Mg10Ga2 cuboctahedra; faces with three equivalent Mg(1)Mg10Ni2 cuboctahedra; faces with three equivalent Ni(1)Mg12 cuboctahedra; faces with three equivalent Ga(1)Mg12 cuboctahedra; and faces with six Mg(3,3)Mg10GaNi cuboctahedra. Ni(1) is bonded to six equivalent Mg(1) and six Mg(3,3) atoms to form NiMg12 cuboctahedra that share corners with six equivalent Ni(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(2)Mg10Ga2 cuboctahedra; edges with six equivalent Mg(1)Mg10Ni2 cuboctahedra; edges with twelve Mg(3,3)Mg10GaNi cuboctahedra; faces with two equivalent Ga(1)Mg12 cuboctahedra; faces with six Mg(3,3)Mg10GaNi cuboctahedra; faces with six equivalent Mg(1)Mg10Ni2 cuboctahedra; and faces with six equivalent Mg(4)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)Mg10Ni2 cuboctahedra; edges with six equivalent Mg(2)Mg10Ga2 cuboctahedra; edges with twelve Mg(3,3)Mg10GaNi cuboctahedra; faces with two equivalent Ni(1)Mg12 cuboctahedra; faces with six equivalent Mg(2)Mg10Ga2 cuboctahedra; faces with six Mg(3,3)Mg10GaNi cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra.
Mg14NiGa crystallizes in the hexagonal P-6m2 space group. There are five 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 Ni(1) atoms to form distorted MgMg10Ni2 cuboctahedra that share corners with four equivalent Ga(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Mg10Ni2 cuboctahedra; corners with eight equivalent Mg(2)Mg10Ga2 cuboctahedra; edges with two equivalent Ni(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(3,3)Mg10GaNi cuboctahedra; faces with two equivalent Mg(2)Mg10Ga2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Ni(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Mg10Ni2 cuboctahedra; and faces with ten Mg(3,3)Mg10GaNi cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.08 Å. There are two shorter (3.08 Å) and two longer (3.13 Å) Mg(1)-Mg(1) bond lengths. All Mg(1)-Mg(3,3) bond lengths are 3.05 Å. Both Mg(1)-Ni(1) bond lengths are 3.11 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four equivalent Mg(2); four Mg(3,3); and two equivalent Ga(1) atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent Ni(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Ga2 cuboctahedra; corners with eight equivalent Mg(1)Mg10Ni2 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; edges with eight Mg(3,3)Mg10GaNi cuboctahedra; faces with two equivalent Mg(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Ga(1)Mg12 cuboctahedra; faces with four equivalent Mg(2)Mg10Ga2 cuboctahedra; and faces with ten Mg(3,3)Mg10GaNi cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.09 Å. There are two shorter (3.10 Å) and two longer (3.11 Å) Mg(2)-Mg(2) bond lengths. All Mg(2)-Mg(3,3) bond lengths are 3.16 Å. Both Mg(2)-Ga(1) bond lengths are 3.11 Å. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1); two equivalent Mg(2); two equivalent Mg(4); four Mg(3,3); one Ni(1); and one Ga(1) atom to form distorted MgMg10GaNi cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)Mg10GaNi cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Ni(1)Mg12 cuboctahedra; edges with two equivalent Ga(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Ga2 cuboctahedra; edges with four Mg(3,3)Mg10GaNi cuboctahedra; edges with four equivalent Mg(1)Mg10Ni2 cuboctahedra;  a faceface with one Ni(1)Mg12 cuboctahedra;  a faceface with one Ga(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five equivalent Mg(2)Mg10Ga2 cuboctahedra; faces with five equivalent Mg(1)Mg10Ni2 cuboctahedra; and faces with six Mg(3,3)Mg10GaNi cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.11 Å. There are two shorter (3.01 Å) and two longer (3.21 Å) Mg(3)-Mg(3,3) bond lengths. The Mg(3)-Ni(1) bond length is 3.00 Å. The Mg(3)-Ga(1) bond length is 3.11 Å. In the fourth Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), one Ni(1), and one Ga(1) atom to form distorted MgMg10GaNi cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)Mg10GaNi cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Ni(1)Mg12 cuboctahedra; edges with two equivalent Ga(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Ga2 cuboctahedra; edges with four equivalent Mg(3)Mg10GaNi cuboctahedra; edges with four equivalent Mg(1)Mg10Ni2 cuboctahedra;  a faceface with one Ni(1)Mg12 cuboctahedra;  a faceface with one Ga(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five equivalent Mg(2)Mg10Ga2 cuboctahedra; faces with five equivalent Mg(1)Mg10Ni2 cuboctahedra; and faces with six Mg(3,3)Mg10GaNi cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.11 Å. The Mg(3)-Ni(1) bond length is 3.00 Å. The Mg(3)-Ga(1) bond length is 3.11 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; corners with twelve Mg(3,3)Mg10GaNi cuboctahedra; edges with six equivalent Mg(2)Mg10Ga2 cuboctahedra; edges with six Mg(3,3)Mg10GaNi cuboctahedra; edges with six equivalent Mg(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Mg(2)Mg10Ga2 cuboctahedra; faces with three equivalent Mg(1)Mg10Ni2 cuboctahedra; faces with three equivalent Ni(1)Mg12 cuboctahedra; faces with three equivalent Ga(1)Mg12 cuboctahedra; and faces with six Mg(3,3)Mg10GaNi cuboctahedra. Ni(1) is bonded to six equivalent Mg(1) and six Mg(3,3) atoms to form NiMg12 cuboctahedra that share corners with six equivalent Ni(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(2)Mg10Ga2 cuboctahedra; edges with six equivalent Mg(1)Mg10Ni2 cuboctahedra; edges with twelve Mg(3,3)Mg10GaNi cuboctahedra; faces with two equivalent Ga(1)Mg12 cuboctahedra; faces with six Mg(3,3)Mg10GaNi cuboctahedra; faces with six equivalent Mg(1)Mg10Ni2 cuboctahedra; and faces with six equivalent Mg(4)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)Mg10Ni2 cuboctahedra; edges with six equivalent Mg(2)Mg10Ga2 cuboctahedra; edges with twelve Mg(3,3)Mg10GaNi cuboctahedra; faces with two equivalent Ni(1)Mg12 cuboctahedra; faces with six equivalent Mg(2)Mg10Ga2 cuboctahedra; faces with six Mg(3,3)Mg10GaNi cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra.