CaMg6Zn is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Zn(1) atoms to form CaMg10Zn2 cuboctahedra that share corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Mg10Zn2 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, edges with four equivalent Zn(1)Ca2Mg10 cuboctahedra, edges with eight equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Zn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Zn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Zn(1) atoms to form distorted MgCa2Mg8Zn2 cuboctahedra that share corners with four equivalent Ca(1)Mg10Zn2 cuboctahedra, corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Ca(1)Mg10Zn2 cuboctahedra, edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with two equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with four equivalent Mg(4)Mg10Zn2 cuboctahedra, edges with four equivalent Zn(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, and faces with eight equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg10Zn2 cuboctahedra, corners with six equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Ca(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, edges with four equivalent Mg(4)Mg10Zn2 cuboctahedra, edges with eight equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Zn2 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, and faces with six equivalent Zn(1)Ca2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Zn(1) atoms to form distorted MgCa2Mg8Zn2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Zn2 cuboctahedra, corners with four equivalent Zn(1)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(4)Mg10Zn2 cuboctahedra, edges with two equivalent Zn(1)Ca2Mg10 cuboctahedra, edges with four equivalent Ca(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, and faces with eight equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Zn(1) atoms to form MgMg10Zn2 cuboctahedra that share corners with four equivalent Zn(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg10Zn2 cuboctahedra, corners with eight equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Zn(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with eight equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, and faces with six equivalent Ca(1)Mg10Zn2 cuboctahedra. Zn(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted ZnCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10Zn2 cuboctahedra, corners with six equivalent Zn(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(4)Mg10Zn2 cuboctahedra, edges with four equivalent Ca(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with eight equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(4)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, and faces with six equivalent Mg(2)Ca2Mg10 cuboctahedra.
CaMg6Zn is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Zn(1) atoms to form CaMg10Zn2 cuboctahedra that share corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Mg10Zn2 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, edges with four equivalent Zn(1)Ca2Mg10 cuboctahedra, edges with eight equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Zn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Zn2 cuboctahedra. Both Ca(1)-Mg(2) bond lengths are 3.30 Å. There are two shorter (3.21 Å) and two longer (3.35 Å) Ca(1)-Mg(1) bond lengths. All Ca(1)-Mg(3) bond lengths are 3.25 Å. Both Ca(1)-Zn(1) bond lengths are 3.14 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Zn(1) atoms to form distorted MgCa2Mg8Zn2 cuboctahedra that share corners with four equivalent Ca(1)Mg10Zn2 cuboctahedra, corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Ca(1)Mg10Zn2 cuboctahedra, edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with two equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with four equivalent Mg(4)Mg10Zn2 cuboctahedra, edges with four equivalent Zn(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, and faces with eight equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra. There is one shorter (3.19 Å) and one longer (3.39 Å) Mg(1)-Mg(1) bond length. There is one shorter (3.21 Å) and one longer (3.35 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.14 Å. Both Mg(1)-Mg(4) bond lengths are 3.21 Å. Both Mg(1)-Zn(1) bond lengths are 3.15 Å. In the second Mg site, Mg(2) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg10Zn2 cuboctahedra, corners with six equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Ca(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, edges with four equivalent Mg(4)Mg10Zn2 cuboctahedra, edges with eight equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Zn2 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, and faces with six equivalent Zn(1)Ca2Mg10 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.19 Å. All Mg(2)-Mg(3) bond lengths are 3.15 Å. In the third Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Zn(1) atoms to form distorted MgCa2Mg8Zn2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Zn2 cuboctahedra, corners with four equivalent Zn(1)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(4)Mg10Zn2 cuboctahedra, edges with two equivalent Zn(1)Ca2Mg10 cuboctahedra, edges with four equivalent Ca(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, and faces with eight equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra. There is one shorter (3.17 Å) and one longer (3.42 Å) Mg(3)-Mg(3) bond length. There is one shorter (3.28 Å) and one longer (3.29 Å) Mg(3)-Mg(4) bond length. There is one shorter (3.19 Å) and one longer (3.37 Å) Mg(3)-Zn(1) bond length. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Zn(1) atoms to form MgMg10Zn2 cuboctahedra that share corners with four equivalent Zn(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg10Zn2 cuboctahedra, corners with eight equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Zn(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with eight equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, and faces with six equivalent Ca(1)Mg10Zn2 cuboctahedra. Both Mg(4)-Zn(1) bond lengths are 3.29 Å. Zn(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted ZnCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10Zn2 cuboctahedra, corners with six equivalent Zn(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(4)Mg10Zn2 cuboctahedra, edges with four equivalent Ca(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, edges with eight equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(4)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Zn2 cuboctahedra, and faces with six equivalent Mg(2)Ca2Mg10 cuboctahedra.