CaMg6Zn crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Zn(1) atoms to form CaMg10Zn2 cuboctahedra that share corners with six equivalent Ca(1)Mg10Zn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Zn2 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 in a 11-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Zn(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry 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. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Zn(1) atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(4)Mg10Zn2 cuboctahedra, and faces with six equivalent Ca(1)Mg10Zn2 cuboctahedra. Zn(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms.
CaMg6Zn crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Zn(1) atoms to form CaMg10Zn2 cuboctahedra that share corners with six equivalent Ca(1)Mg10Zn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Zn2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Zn2 cuboctahedra. Both Ca(1)-Mg(3) bond lengths are 3.21 Å. There are two shorter (3.29 Å) and two longer (3.35 Å) Ca(1)-Mg(1) bond lengths. All Ca(1)-Mg(2) bond lengths are 3.23 Å. Both Ca(1)-Zn(1) bond lengths are 3.16 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Zn(1) atom. There is one shorter (3.12 Å) and one longer (3.18 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 3.15 Å. Both Mg(1)-Mg(3) bond lengths are 3.15 Å. Both Mg(1)-Mg(4) bond lengths are 3.24 Å. The Mg(1)-Zn(1) bond length is 3.07 Å. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry 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. There is one shorter (3.06 Å) and one longer (3.24 Å) Mg(2)-Mg(2) bond length. There is one shorter (3.20 Å) and one longer (3.45 Å) Mg(2)-Mg(3) bond length. There is one shorter (3.21 Å) and one longer (3.44 Å) Mg(2)-Mg(4) bond length. Both Mg(2)-Zn(1) bond lengths are 3.09 Å. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms. Both Mg(3)-Mg(4) bond lengths are 3.16 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Zn(1) atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(4)Mg10Zn2 cuboctahedra, and faces with six equivalent Ca(1)Mg10Zn2 cuboctahedra. Both Mg(4)-Zn(1) bond lengths are 3.26 Å. Zn(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms.