Mg6YW crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Y(1), and two equivalent W(1) atoms to form distorted MgY2Mg8W2 cuboctahedra that share corners with four equivalent Mg(2)Y2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Y2Mg8W2 cuboctahedra, edges with two equivalent Mg(2)Y2Mg10 cuboctahedra, edges with two equivalent Mg(1)Y2Mg8W2 cuboctahedra, edges with four equivalent W(1)Y2Mg10 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, faces with two equivalent W(1)Y2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Y2Mg8W2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Y(1) atoms to form distorted MgY2Mg10 cuboctahedra that share corners with six equivalent Mg(2)Y2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Y2Mg8W2 cuboctahedra, edges with four equivalent Mg(1)Y2Mg8W2 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, faces with four equivalent Mg(1)Y2Mg8W2 cuboctahedra, and faces with six equivalent W(1)Y2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Y(1), and two equivalent W(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms. Y(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms. W(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Y(1) atoms to form WY2Mg10 cuboctahedra that share corners with six equivalent W(1)Y2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Y2Mg8W2 cuboctahedra, faces with two equivalent W(1)Y2Mg10 cuboctahedra, faces with four equivalent Mg(1)Y2Mg8W2 cuboctahedra, and faces with six equivalent Mg(2)Y2Mg10 cuboctahedra.
Mg6YW crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Y(1), and two equivalent W(1) atoms to form distorted MgY2Mg8W2 cuboctahedra that share corners with four equivalent Mg(2)Y2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Y2Mg8W2 cuboctahedra, edges with two equivalent Mg(2)Y2Mg10 cuboctahedra, edges with two equivalent Mg(1)Y2Mg8W2 cuboctahedra, edges with four equivalent W(1)Y2Mg10 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, faces with two equivalent W(1)Y2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Y2Mg8W2 cuboctahedra. There is one shorter (2.97 Å) and one longer (3.27 Å) Mg(1)-Mg(1) bond length. There is one shorter (3.15 Å) and one longer (3.29 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.02 Å. Both Mg(1)-Mg(4) bond lengths are 3.19 Å. There is one shorter (3.03 Å) and one longer (3.41 Å) Mg(1)-Y(1) bond length. Both Mg(1)-W(1) bond lengths are 3.17 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Y(1) atoms to form distorted MgY2Mg10 cuboctahedra that share corners with six equivalent Mg(2)Y2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Y2Mg8W2 cuboctahedra, edges with four equivalent Mg(1)Y2Mg8W2 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, faces with four equivalent Mg(1)Y2Mg8W2 cuboctahedra, and faces with six equivalent W(1)Y2Mg10 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.07 Å. All Mg(2)-Mg(3) bond lengths are 3.15 Å. Both Mg(2)-Y(1) bond lengths are 3.13 Å. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Y(1), and two equivalent W(1) atoms. There is one shorter (3.10 Å) and one longer (3.15 Å) Mg(3)-Mg(3) bond length. There is one shorter (3.17 Å) and one longer (3.27 Å) Mg(3)-Mg(4) bond length. Both Mg(3)-Y(1) bond lengths are 3.25 Å. There is one shorter (3.16 Å) and one longer (3.29 Å) Mg(3)-W(1) bond length. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms. Both Mg(4)-W(1) bond lengths are 3.13 Å. Y(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms. Both Y(1)-W(1) bond lengths are 2.88 Å. W(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Y(1) atoms to form WY2Mg10 cuboctahedra that share corners with six equivalent W(1)Y2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Y2Mg8W2 cuboctahedra, faces with two equivalent W(1)Y2Mg10 cuboctahedra, faces with four equivalent Mg(1)Y2Mg8W2 cuboctahedra, and faces with six equivalent Mg(2)Y2Mg10 cuboctahedra.