Mn3CdTe4 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form MnTe4 tetrahedra that share corners with three equivalent Mn(2)Te4 tetrahedra, corners with three equivalent Cd(1)Te4 tetrahedra, and corners with six equivalent Mn(1)Te4 tetrahedra. In the second Mn site, Mn(2) is bonded to one Te(3) and three equivalent Te(2) atoms to form corner-sharing MnTe4 tetrahedra. In the third Mn site, Mn(3) is bonded to one Te(4) and three equivalent Te(3) atoms to form MnTe4 tetrahedra that share corners with three equivalent Mn(2)Te4 tetrahedra, corners with three equivalent Cd(1)Te4 tetrahedra, and corners with six equivalent Mn(3)Te4 tetrahedra. Cd(1) is bonded to one Te(1) and three equivalent Te(4) atoms to form CdTe4 tetrahedra that share corners with three equivalent Mn(1)Te4 tetrahedra, corners with three equivalent Mn(3)Te4 tetrahedra, and corners with six equivalent Cd(1)Te4 tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Mn(1) and one Cd(1) atom to form TeMn3Cd tetrahedra that share corners with three equivalent Te(2)Mn4 tetrahedra, corners with three equivalent Te(4)MnCd3 tetrahedra, and corners with six equivalent Te(1)Mn3Cd tetrahedra. In the second Te site, Te(2) is bonded to one Mn(1) and three equivalent Mn(2) atoms to form TeMn4 tetrahedra that share corners with three equivalent Te(1)Mn3Cd tetrahedra, corners with three equivalent Te(3)Mn4 tetrahedra, and corners with six equivalent Te(2)Mn4 tetrahedra. In the third Te site, Te(3) is bonded to one Mn(2) and three equivalent Mn(3) atoms to form TeMn4 tetrahedra that share corners with three equivalent Te(2)Mn4 tetrahedra, corners with three equivalent Te(4)MnCd3 tetrahedra, and corners with six equivalent Te(3)Mn4 tetrahedra. In the fourth Te site, Te(4) is bonded to one Mn(3) and three equivalent Cd(1) atoms to form TeMnCd3 tetrahedra that share corners with three equivalent Te(1)Mn3Cd tetrahedra, corners with three equivalent Te(3)Mn4 tetrahedra, and corners with six equivalent Te(4)MnCd3 tetrahedra.
Mn3CdTe4 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form MnTe4 tetrahedra that share corners with three equivalent Mn(2)Te4 tetrahedra, corners with three equivalent Cd(1)Te4 tetrahedra, and corners with six equivalent Mn(1)Te4 tetrahedra. The Mn(1)-Te(2) bond length is 2.77 Å. All Mn(1)-Te(1) bond lengths are 2.77 Å. In the second Mn site, Mn(2) is bonded to one Te(3) and three equivalent Te(2) atoms to form corner-sharing MnTe4 tetrahedra. The Mn(2)-Te(3) bond length is 2.78 Å. All Mn(2)-Te(2) bond lengths are 2.79 Å. In the third Mn site, Mn(3) is bonded to one Te(4) and three equivalent Te(3) atoms to form MnTe4 tetrahedra that share corners with three equivalent Mn(2)Te4 tetrahedra, corners with three equivalent Cd(1)Te4 tetrahedra, and corners with six equivalent Mn(3)Te4 tetrahedra. The Mn(3)-Te(4) bond length is 2.73 Å. All Mn(3)-Te(3) bond lengths are 2.78 Å. Cd(1) is bonded to one Te(1) and three equivalent Te(4) atoms to form CdTe4 tetrahedra that share corners with three equivalent Mn(1)Te4 tetrahedra, corners with three equivalent Mn(3)Te4 tetrahedra, and corners with six equivalent Cd(1)Te4 tetrahedra. The Cd(1)-Te(1) bond length is 2.85 Å. All Cd(1)-Te(4) bond lengths are 2.83 Å. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Mn(1) and one Cd(1) atom to form TeMn3Cd tetrahedra that share corners with three equivalent Te(2)Mn4 tetrahedra, corners with three equivalent Te(4)MnCd3 tetrahedra, and corners with six equivalent Te(1)Mn3Cd tetrahedra. In the second Te site, Te(2) is bonded to one Mn(1) and three equivalent Mn(2) atoms to form TeMn4 tetrahedra that share corners with three equivalent Te(1)Mn3Cd tetrahedra, corners with three equivalent Te(3)Mn4 tetrahedra, and corners with six equivalent Te(2)Mn4 tetrahedra. In the third Te site, Te(3) is bonded to one Mn(2) and three equivalent Mn(3) atoms to form TeMn4 tetrahedra that share corners with three equivalent Te(2)Mn4 tetrahedra, corners with three equivalent Te(4)MnCd3 tetrahedra, and corners with six equivalent Te(3)Mn4 tetrahedra. In the fourth Te site, Te(4) is bonded to one Mn(3) and three equivalent Cd(1) atoms to form TeMnCd3 tetrahedra that share corners with three equivalent Te(1)Mn3Cd tetrahedra, corners with three equivalent Te(3)Mn4 tetrahedra, and corners with six equivalent Te(4)MnCd3 tetrahedra.