MgZnCa crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Ca(2), three equivalent Mg(1), four equivalent Mg(2), one Zn(3), two equivalent Zn(1), and two equivalent Zn(2) atoms. In the second Ca site, Ca(2) is bonded in a 16-coordinate geometry to one Ca(2), three equivalent Ca(1), two equivalent Mg(2), three equivalent Mg(1), one Zn(1), two equivalent Zn(3), and four equivalent Zn(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Ca(1), three equivalent Ca(2), two equivalent Mg(2), one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form distorted MgCa6Mg2Zn4 cuboctahedra that share corners with two equivalent Zn(1)Ca6Mg6 cuboctahedra, corners with four equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, edges with six equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, faces with two equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, faces with three equivalent Zn(1)Ca6Mg6 cuboctahedra, and faces with six equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Ca(2), four equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Zn(1) atoms to form distorted MgCa6Mg4Zn2 cuboctahedra that share corners with four equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, corners with four equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, edges with two equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, faces with four equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, faces with four equivalent Zn(1)Ca6Mg6 cuboctahedra, and faces with six equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Ca(2), four equivalent Ca(1), two equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted ZnCa6Mg6 cuboctahedra that share corners with four equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, corners with four equivalent Zn(1)Ca6Mg6 cuboctahedra, edges with two equivalent Zn(1)Ca6Mg6 cuboctahedra, faces with six equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, and faces with eight equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), two equivalent Mg(1), one Zn(2), and one Zn(3) atom. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), two equivalent Mg(1), and two equivalent Zn(2) atoms.
MgZnCa crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Ca(2), three equivalent Mg(1), four equivalent Mg(2), one Zn(3), two equivalent Zn(1), and two equivalent Zn(2) atoms. There is one shorter (3.57 Å) and two longer (3.62 Å) Ca(1)-Ca(2) bond lengths. There is one shorter (3.45 Å) and two longer (3.46 Å) Ca(1)-Mg(1) bond lengths. There are two shorter (3.48 Å) and two longer (3.51 Å) Ca(1)-Mg(2) bond lengths. The Ca(1)-Zn(3) bond length is 3.32 Å. Both Ca(1)-Zn(1) bond lengths are 3.54 Å. Both Ca(1)-Zn(2) bond lengths are 3.33 Å. In the second Ca site, Ca(2) is bonded in a 16-coordinate geometry to one Ca(2), three equivalent Ca(1), two equivalent Mg(2), three equivalent Mg(1), one Zn(1), two equivalent Zn(3), and four equivalent Zn(2) atoms. The Ca(2)-Ca(2) bond length is 3.44 Å. Both Ca(2)-Mg(2) bond lengths are 3.54 Å. There is one shorter (3.36 Å) and two longer (3.48 Å) Ca(2)-Mg(1) bond lengths. The Ca(2)-Zn(1) bond length is 3.51 Å. Both Ca(2)-Zn(3) bond lengths are 3.44 Å. All Ca(2)-Zn(2) bond lengths are 3.39 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Ca(1), three equivalent Ca(2), two equivalent Mg(2), one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form distorted MgCa6Mg2Zn4 cuboctahedra that share corners with two equivalent Zn(1)Ca6Mg6 cuboctahedra, corners with four equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, edges with six equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, faces with two equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, faces with three equivalent Zn(1)Ca6Mg6 cuboctahedra, and faces with six equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.10 Å. The Mg(1)-Zn(1) bond length is 3.06 Å. The Mg(1)-Zn(3) bond length is 2.92 Å. Both Mg(1)-Zn(2) bond lengths are 2.90 Å. In the second Mg site, Mg(2) is bonded to two equivalent Ca(2), four equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Zn(1) atoms to form distorted MgCa6Mg4Zn2 cuboctahedra that share corners with four equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, corners with four equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, edges with two equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, faces with four equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, faces with four equivalent Zn(1)Ca6Mg6 cuboctahedra, and faces with six equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra. There is one shorter (2.93 Å) and one longer (3.02 Å) Mg(2)-Mg(2) bond length. There is one shorter (2.85 Å) and one longer (3.00 Å) Mg(2)-Zn(1) bond length. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Ca(2), four equivalent Ca(1), two equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted ZnCa6Mg6 cuboctahedra that share corners with four equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, corners with four equivalent Zn(1)Ca6Mg6 cuboctahedra, edges with two equivalent Zn(1)Ca6Mg6 cuboctahedra, faces with six equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, and faces with eight equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), two equivalent Mg(1), one Zn(2), and one Zn(3) atom. The Zn(2)-Zn(2) bond length is 2.77 Å. The Zn(2)-Zn(3) bond length is 2.74 Å. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), two equivalent Mg(1), and two equivalent Zn(2) atoms.