Mg6YGa crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Y(1), and one Ga(1) atom. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Y(1), and two equivalent Ga(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), and two equivalent Y(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent Ga(1) atoms. Y(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ga(1) atoms to form a mixture of distorted corner and face-sharing YMg10Ga2 cuboctahedra. Ga(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(2), and two equivalent Y(1) atoms.
Mg6YGa crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Y(1), and one Ga(1) atom. There is one shorter (3.04 Å) and one longer (3.10 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 3.07 Å. Both Mg(1)-Mg(3) bond lengths are 3.15 Å. Both Mg(1)-Mg(4) bond lengths are 3.28 Å. There is one shorter (3.32 Å) and one longer (3.37 Å) Mg(1)-Y(1) bond length. The Mg(1)-Ga(1) bond length is 3.11 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Y(1), and two equivalent Ga(1) atoms. The Mg(2)-Mg(3) bond length is 3.17 Å. The Mg(2)-Mg(4) bond length is 3.20 Å. There is one shorter (3.06 Å) and one longer (3.07 Å) Mg(2)-Mg(2) bond length. Both Mg(2)-Y(1) bond lengths are 3.23 Å. Both Mg(2)-Ga(1) bond lengths are 3.12 Å. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), and two equivalent Y(1) atoms. Both Mg(3)-Mg(4) bond lengths are 3.09 Å. Both Mg(3)-Y(1) bond lengths are 3.17 Å. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent Ga(1) atoms. Both Mg(4)-Ga(1) bond lengths are 3.14 Å. Y(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ga(1) atoms to form a mixture of distorted corner and face-sharing YMg10Ga2 cuboctahedra. Both Y(1)-Ga(1) bond lengths are 3.08 Å. Ga(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(2), and two equivalent Y(1) atoms.