Mg6NiZn crystallizes in the orthorhombic Amm2 space group. There are seven 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 Ni(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with ten Mg(1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra. In the second 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 Ni(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with ten Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra. In the third Mg site, Mg(2) 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 Ni(1), and two equivalent Zn(1) atoms. In the fourth Mg site, Mg(3) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(2,2); and two equivalent Zn(1) atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Zn2 cuboctahedra; edges with four equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with eight Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra; and faces with six equivalent Ni(1)Mg10Zn2 cuboctahedra. In the fifth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(3); four Mg(1,1); four Mg(2,2); and two equivalent Ni(1) atoms. In the sixth 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 Ni(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with ten Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra. In the seventh Mg site, Mg(2) 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 Ni(1), and two equivalent Zn(1) atoms. Ni(1) is bonded to two equivalent Mg(4); four Mg(1,1,1); four equivalent Mg(2); and two equivalent Zn(1) atoms to form NiMg10Zn2 cuboctahedra that share corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with six equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; faces with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; and faces with six equivalent Mg(3)Mg10Zn2 cuboctahedra. Zn(1) is bonded to two equivalent Mg(3); four Mg(1,1,1); four Mg(2,2); and two equivalent Ni(1) atoms to form ZnMg10Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with six equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; edges with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra.
Mg6NiZn crystallizes in the orthorhombic Amm2 space group. There are seven 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 Ni(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with ten Mg(1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra. There is one shorter (3.07 Å) and one longer (3.08 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 2.99 Å. Both Mg(1)-Mg(3) bond lengths are 2.97 Å. Both Mg(1)-Mg(4) bond lengths are 2.98 Å. There is one shorter (3.00 Å) and one longer (3.04 Å) Mg(1)-Ni(1) bond length. There is one shorter (3.00 Å) and one longer (3.03 Å) Mg(1)-Zn(1) bond length. In the second 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 Ni(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with ten Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 2.99 Å. Both Mg(1)-Mg(3) bond lengths are 2.97 Å. Both Mg(1)-Mg(4) bond lengths are 2.98 Å. There is one shorter (3.00 Å) and one longer (3.04 Å) Mg(1)-Ni(1) bond length. There is one shorter (3.00 Å) and one longer (3.03 Å) Mg(1)-Zn(1) bond length. In the third Mg site, Mg(2) 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 Ni(1), and two equivalent Zn(1) atoms. There is one shorter (2.98 Å) and one longer (3.17 Å) Mg(2)-Mg(2) bond length. There is one shorter (2.97 Å) and one longer (3.07 Å) Mg(2)-Mg(3) bond length. There is one shorter (2.88 Å) and one longer (3.16 Å) Mg(2)-Mg(4) bond length. Both Mg(2)-Ni(1) bond lengths are 2.92 Å. Both Mg(2)-Zn(1) bond lengths are 2.98 Å. In the fourth Mg site, Mg(3) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(2,2); and two equivalent Zn(1) atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Zn2 cuboctahedra; edges with four equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with eight Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra; and faces with six equivalent Ni(1)Mg10Zn2 cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.08 Å. The Mg(3)-Mg(2) bond length is 2.97 Å. Both Mg(3)-Zn(1) bond lengths are 2.92 Å. In the fifth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(3); four Mg(1,1); four Mg(2,2); and two equivalent Ni(1) atoms. Both Mg(4)-Mg(1) bond lengths are 2.98 Å. The Mg(4)-Mg(2) bond length is 3.16 Å. Both Mg(4)-Ni(1) bond lengths are 2.90 Å. In the sixth 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 Ni(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with ten Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra. There is one shorter (3.07 Å) and one longer (3.08 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 2.99 Å. Both Mg(1)-Mg(3) bond lengths are 2.97 Å. There is one shorter (3.00 Å) and one longer (3.04 Å) Mg(1)-Ni(1) bond length. There is one shorter (3.00 Å) and one longer (3.03 Å) Mg(1)-Zn(1) bond length. In the seventh Mg site, Mg(2) 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 Ni(1), and two equivalent Zn(1) atoms. There is one shorter (2.98 Å) and one longer (3.17 Å) Mg(2)-Mg(2) bond length. Both Mg(2)-Ni(1) bond lengths are 2.92 Å. Both Mg(2)-Zn(1) bond lengths are 2.98 Å. Ni(1) is bonded to two equivalent Mg(4); four Mg(1,1,1); four equivalent Mg(2); and two equivalent Zn(1) atoms to form NiMg10Zn2 cuboctahedra that share corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with six equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; faces with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; and faces with six equivalent Mg(3)Mg10Zn2 cuboctahedra. Both Ni(1)-Zn(1) bond lengths are 3.07 Å. Zn(1) is bonded to two equivalent Mg(3); four Mg(1,1,1); four Mg(2,2); and two equivalent Ni(1) atoms to form ZnMg10Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with six equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; edges with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra.