CaMgCd crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 16-coordinate geometry to one Ca(1), three equivalent Ca(2), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), three equivalent Cd(1), and four equivalent Cd(2) atoms. In the second Ca site, Ca(2) is bonded in a 16-coordinate geometry to one Ca(2); three Ca(1,1); one Mg(1); two equivalent Mg(3); four equivalent Mg(2); two equivalent Cd(2); and three equivalent Cd(1) atoms. In the third Ca site, Ca(1) is bonded in a 16-coordinate geometry to one Ca(1); three Ca(2,2); one Mg(3); two equivalent Mg(1); two equivalent Mg(2); three equivalent Cd(1); and four equivalent Cd(2) atoms. In the fourth Ca site, Ca(1) is bonded in a 16-coordinate geometry to one Ca(1), three equivalent Ca(2), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), three equivalent Cd(1), and four equivalent Cd(2) atoms. In the fifth Ca site, Ca(2) is bonded in a 16-coordinate geometry to one Ca(2); three Ca(1,1); one Mg(1); two equivalent Mg(3); four equivalent Mg(2); two equivalent Cd(2); and three equivalent Cd(1) atoms. In the sixth Ca site, Ca(1) is bonded in a 16-coordinate geometry to one Ca(1); three Ca(2,2); one Mg(3); two equivalent Mg(1); two equivalent Mg(2); three equivalent Cd(1); and four equivalent Cd(2) atoms. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(2); four Ca(1,1); two equivalent Cd(1); and four equivalent Cd(2) atoms to form distorted MgCa6Cd6 cuboctahedra that share corners with two equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, corners with four equivalent Mg(1)Ca6Cd6 cuboctahedra, corners with four equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, corners with eight equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, edges with two equivalent Mg(1)Ca6Cd6 cuboctahedra, edges with four equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, faces with four equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, faces with six equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, and faces with eight equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra. In the second Mg site, Mg(2) is bonded to two Ca(1,1); four Ca(2,2); two equivalent Mg(2); two equivalent Mg(3); and two equivalent Cd(1) atoms to form distorted MgCa6Mg4Cd2 cuboctahedra that share corners with four equivalent Mg(1)Ca6Cd6 cuboctahedra, corners with four equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, corners with four equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, corners with six equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, edges with two equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, edges with four equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, faces with two equivalent Mg(1)Ca6Cd6 cuboctahedra, faces with two equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, faces with four equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, faces with four equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, and faces with six equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two Ca(1,1); four Ca(2,2); four equivalent Mg(2); and two equivalent Cd(1) atoms to form distorted MgCa6Mg4Cd2 cuboctahedra that share corners with two equivalent Mg(1)Ca6Cd6 cuboctahedra, corners with four equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, corners with four equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, corners with eight equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, edges with two equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, edges with four equivalent Mg(1)Ca6Cd6 cuboctahedra, faces with four equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, faces with six equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, and faces with eight equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three Ca(1,1); three equivalent Ca(2); one Mg(1); one Mg(3); two equivalent Mg(2); and two equivalent Cd(2) atoms to form distorted CdCa6Mg4Cd2 cuboctahedra that share corners with two equivalent Mg(1)Ca6Cd6 cuboctahedra, corners with two equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, corners with four equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, corners with four equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, edges with six equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, faces with two equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, faces with three equivalent Mg(1)Ca6Cd6 cuboctahedra, faces with three equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, faces with six equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, and faces with six equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra. In the second Cd site, Cd(2) is bonded to two equivalent Ca(2); four Ca(1,1,1,1); two equivalent Mg(1); two equivalent Cd(1); and two equivalent Cd(2) atoms to form distorted CdCa6Mg2Cd4 cuboctahedra that share corners with four equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, corners with four equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, corners with four equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, corners with six equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, edges with two equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, edges with four equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, faces with two equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, faces with two equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, faces with four equivalent Mg(1)Ca6Cd6 cuboctahedra, faces with four equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, and faces with six equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra.
CaMgCd crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 16-coordinate geometry to one Ca(1), three equivalent Ca(2), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), three equivalent Cd(1), and four equivalent Cd(2) atoms. The Ca(1)-Ca(1) bond length is 3.55 Å. There is one shorter (3.69 Å) and two longer (3.73 Å) Ca(1)-Ca(2) bond lengths. The Ca(1)-Mg(3) bond length is 3.50 Å. Both Ca(1)-Mg(1) bond lengths are 3.56 Å. Both Ca(1)-Mg(2) bond lengths are 3.52 Å. There is one shorter (3.56 Å) and two longer (3.61 Å) Ca(1)-Cd(1) bond lengths. There are two shorter (3.49 Å) and two longer (3.57 Å) Ca(1)-Cd(2) bond lengths. In the second Ca site, Ca(2) is bonded in a 16-coordinate geometry to one Ca(2); three Ca(1,1); one Mg(1); two equivalent Mg(3); four equivalent Mg(2); two equivalent Cd(2); and three equivalent Cd(1) atoms. The Ca(2)-Ca(2) bond length is 3.78 Å. Both Ca(2)-Ca(1) bond lengths are 3.73 Å. The Ca(2)-Mg(1) bond length is 3.45 Å. Both Ca(2)-Mg(3) bond lengths are 3.62 Å. There are two shorter (3.58 Å) and two longer (3.59 Å) Ca(2)-Mg(2) bond lengths. Both Ca(2)-Cd(2) bond lengths are 3.39 Å. There is one shorter (3.56 Å) and two longer (3.58 Å) Ca(2)-Cd(1) bond lengths. In the third Ca site, Ca(1) is bonded in a 16-coordinate geometry to one Ca(1); three Ca(2,2); one Mg(3); two equivalent Mg(1); two equivalent Mg(2); three equivalent Cd(1); and four equivalent Cd(2) atoms. There is one shorter (3.69 Å) and two longer (3.73 Å) Ca(1)-Ca(2,2) bond lengths. The Ca(1)-Mg(3) bond length is 3.50 Å. Both Ca(1)-Mg(1) bond lengths are 3.56 Å. Both Ca(1)-Mg(2) bond lengths are 3.52 Å. There is one shorter (3.56 Å) and two longer (3.61 Å) Ca(1)-Cd(1) bond lengths. There are two shorter (3.49 Å) and two longer (3.57 Å) Ca(1)-Cd(2) bond lengths. In the fourth Ca site, Ca(1) is bonded in a 16-coordinate geometry to one Ca(1), three equivalent Ca(2), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), three equivalent Cd(1), and four equivalent Cd(2) atoms. The Ca(1)-Ca(1) bond length is 3.55 Å. The Ca(1)-Mg(3) bond length is 3.50 Å. Both Ca(1)-Mg(1) bond lengths are 3.56 Å. Both Ca(1)-Mg(2) bond lengths are 3.52 Å. There is one shorter (3.56 Å) and two longer (3.61 Å) Ca(1)-Cd(1) bond lengths. There are two shorter (3.49 Å) and two longer (3.57 Å) Ca(1)-Cd(2) bond lengths. In the fifth Ca site, Ca(2) is bonded in a 16-coordinate geometry to one Ca(2); three Ca(1,1); one Mg(1); two equivalent Mg(3); four equivalent Mg(2); two equivalent Cd(2); and three equivalent Cd(1) atoms. The Ca(2)-Ca(2) bond length is 3.78 Å. The Ca(2)-Ca(1) bond length is 3.69 Å. The Ca(2)-Mg(1) bond length is 3.45 Å. Both Ca(2)-Mg(3) bond lengths are 3.62 Å. There are two shorter (3.58 Å) and two longer (3.59 Å) Ca(2)-Mg(2) bond lengths. Both Ca(2)-Cd(2) bond lengths are 3.39 Å. There is one shorter (3.56 Å) and two longer (3.58 Å) Ca(2)-Cd(1) bond lengths. In the sixth Ca site, Ca(1) is bonded in a 16-coordinate geometry to one Ca(1); three Ca(2,2); one Mg(3); two equivalent Mg(1); two equivalent Mg(2); three equivalent Cd(1); and four equivalent Cd(2) atoms. Both Ca(1)-Ca(2) bond lengths are 3.73 Å. The Ca(1)-Mg(3) bond length is 3.50 Å. Both Ca(1)-Mg(1) bond lengths are 3.56 Å. Both Ca(1)-Mg(2) bond lengths are 3.52 Å. There is one shorter (3.56 Å) and two longer (3.61 Å) Ca(1)-Cd(1) bond lengths. There are two shorter (3.49 Å) and two longer (3.57 Å) Ca(1)-Cd(2) bond lengths. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(2); four Ca(1,1); two equivalent Cd(1); and four equivalent Cd(2) atoms to form distorted MgCa6Cd6 cuboctahedra that share corners with two equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, corners with four equivalent Mg(1)Ca6Cd6 cuboctahedra, corners with four equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, corners with eight equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, edges with two equivalent Mg(1)Ca6Cd6 cuboctahedra, edges with four equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, faces with four equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, faces with six equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, and faces with eight equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra. Both Mg(1)-Cd(1) bond lengths are 2.96 Å. There are two shorter (3.02 Å) and two longer (3.08 Å) Mg(1)-Cd(2) bond lengths. In the second Mg site, Mg(2) is bonded to two Ca(1,1); four Ca(2,2); two equivalent Mg(2); two equivalent Mg(3); and two equivalent Cd(1) atoms to form distorted MgCa6Mg4Cd2 cuboctahedra that share corners with four equivalent Mg(1)Ca6Cd6 cuboctahedra, corners with four equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, corners with four equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, corners with six equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, edges with two equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, edges with four equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, faces with two equivalent Mg(1)Ca6Cd6 cuboctahedra, faces with two equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, faces with four equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, faces with four equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, and faces with six equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra. There is one shorter (3.08 Å) and one longer (3.09 Å) Mg(2)-Mg(2) bond length. There is one shorter (3.03 Å) and one longer (3.07 Å) Mg(2)-Mg(3) bond length. Both Mg(2)-Cd(1) bond lengths are 2.99 Å. In the third Mg site, Mg(3) is bonded to two Ca(1,1); four Ca(2,2); four equivalent Mg(2); and two equivalent Cd(1) atoms to form distorted MgCa6Mg4Cd2 cuboctahedra that share corners with two equivalent Mg(1)Ca6Cd6 cuboctahedra, corners with four equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, corners with four equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, corners with eight equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, edges with two equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, edges with four equivalent Mg(1)Ca6Cd6 cuboctahedra, faces with four equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, faces with six equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, and faces with eight equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra. Both Mg(3)-Cd(1) bond lengths are 2.99 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three Ca(1,1); three equivalent Ca(2); one Mg(1); one Mg(3); two equivalent Mg(2); and two equivalent Cd(2) atoms to form distorted CdCa6Mg4Cd2 cuboctahedra that share corners with two equivalent Mg(1)Ca6Cd6 cuboctahedra, corners with two equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, corners with four equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, corners with four equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, edges with six equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, faces with two equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, faces with three equivalent Mg(1)Ca6Cd6 cuboctahedra, faces with three equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, faces with six equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, and faces with six equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra. Both Cd(1)-Cd(2) bond lengths are 3.04 Å. In the second Cd site, Cd(2) is bonded to two equivalent Ca(2); four Ca(1,1,1,1); two equivalent Mg(1); two equivalent Cd(1); and two equivalent Cd(2) atoms to form distorted CdCa6Mg2Cd4 cuboctahedra that share corners with four equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, corners with four equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, corners with four equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra, corners with six equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, edges with two equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, edges with four equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, faces with two equivalent Mg(2)Ca6Mg4Cd2 cuboctahedra, faces with two equivalent Mg(3)Ca6Mg4Cd2 cuboctahedra, faces with four equivalent Mg(1)Ca6Cd6 cuboctahedra, faces with four equivalent Cd(2)Ca6Mg2Cd4 cuboctahedra, and faces with six equivalent Cd(1)Ca6Mg4Cd2 cuboctahedra. There is one shorter (3.01 Å) and one longer (3.16 Å) Cd(2)-Cd(2) bond length.