MgCd2Te2(MoO6)2 crystallizes in the orthorhombic Cmm2 space group. Mg(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with four equivalent Te(2)O6 octahedra and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Cd(1) is bonded in a 4-coordinate geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted TeO6 octahedra that share  an edgeedge with one Mg(1)O6 octahedra. In the second Te site, Te(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted TeO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(2), and one Te(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), two equivalent Cd(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(2), and one Te(2) atom. In the fifth O site, O(5) is bonded to one Mg(1), two equivalent Cd(1), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OMgCd2Te trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Cd(1), and one Te(2) atom.
MgCd2Te2(MoO6)2 crystallizes in the orthorhombic Cmm2 space group. Mg(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with four equivalent Te(2)O6 octahedra and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. Both Mg(1)-O(4) bond lengths are 2.00 Å. Both Mg(1)-O(5) bond lengths are 2.26 Å. Both Mg(1)-O(6) bond lengths are 2.26 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Mo(1)-O(1) bond lengths are 1.87 Å. Both Mo(1)-O(2) bond lengths are 2.47 Å. Both Mo(1)-O(3) bond lengths are 2.01 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Both Mo(2)-O(1) bond lengths are 2.43 Å. Both Mo(2)-O(2) bond lengths are 1.86 Å. Both Mo(2)-O(4) bond lengths are 2.04 Å. Cd(1) is bonded in a 4-coordinate geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. Both Cd(1)-O(3) bond lengths are 2.71 Å. Both Cd(1)-O(5) bond lengths are 2.06 Å. Both Cd(1)-O(6) bond lengths are 2.30 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted TeO6 octahedra that share  an edgeedge with one Mg(1)O6 octahedra. Both Te(1)-O(1) bond lengths are 2.44 Å. Both Te(1)-O(3) bond lengths are 2.19 Å. Both Te(1)-O(5) bond lengths are 1.99 Å. In the second Te site, Te(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted TeO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. Both Te(2)-O(2) bond lengths are 2.68 Å. Both Te(2)-O(4) bond lengths are 2.24 Å. Both Te(2)-O(6) bond lengths are 1.97 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(2), and one Te(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), two equivalent Cd(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(2), and one Te(2) atom. In the fifth O site, O(5) is bonded to one Mg(1), two equivalent Cd(1), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OMgCd2Te trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Cd(1), and one Te(2) atom.