MnZnTe4 is Pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form MnTe6 octahedra that share corners with four equivalent Mn(1)Te6 octahedra, corners with eight equivalent Zn(1)Te6 octahedra, corners with two equivalent Te(1)MnZn2Te tetrahedra, and corners with four equivalent Te(2)Mn2ZnTe tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. Zn(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form ZnTe6 octahedra that share corners with four equivalent Zn(1)Te6 octahedra, corners with eight equivalent Mn(1)Te6 octahedra, corners with two equivalent Te(2)Mn2ZnTe tetrahedra, and corners with four equivalent Te(1)MnZn2Te tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Mn(1), two equivalent Zn(1), and one Te(1) atom to form distorted TeMnZn2Te tetrahedra that share  a cornercorner with one Mn(1)Te6 octahedra, corners with two equivalent Zn(1)Te6 octahedra, corners with seven equivalent Te(1)MnZn2Te tetrahedra, and corners with eight equivalent Te(2)Mn2ZnTe tetrahedra. The corner-sharing octahedral tilt angles range from 77-79°. In the second Te site, Te(2) is bonded to two equivalent Mn(1), one Zn(1), and one Te(2) atom to form distorted TeMn2ZnTe tetrahedra that share  a cornercorner with one Zn(1)Te6 octahedra, corners with two equivalent Mn(1)Te6 octahedra, corners with seven equivalent Te(2)Mn2ZnTe tetrahedra, and corners with eight equivalent Te(1)MnZn2Te tetrahedra. The corner-sharing octahedral tilt angles range from 78-80°.
MnZnTe4 is Pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form MnTe6 octahedra that share corners with four equivalent Mn(1)Te6 octahedra, corners with eight equivalent Zn(1)Te6 octahedra, corners with two equivalent Te(1)MnZn2Te tetrahedra, and corners with four equivalent Te(2)Mn2ZnTe tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. Both Mn(1)-Te(1) bond lengths are 2.84 Å. All Mn(1)-Te(2) bond lengths are 2.86 Å. Zn(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form ZnTe6 octahedra that share corners with four equivalent Zn(1)Te6 octahedra, corners with eight equivalent Mn(1)Te6 octahedra, corners with two equivalent Te(2)Mn2ZnTe tetrahedra, and corners with four equivalent Te(1)MnZn2Te tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. Both Zn(1)-Te(2) bond lengths are 2.89 Å. All Zn(1)-Te(1) bond lengths are 2.89 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Mn(1), two equivalent Zn(1), and one Te(1) atom to form distorted TeMnZn2Te tetrahedra that share  a cornercorner with one Mn(1)Te6 octahedra, corners with two equivalent Zn(1)Te6 octahedra, corners with seven equivalent Te(1)MnZn2Te tetrahedra, and corners with eight equivalent Te(2)Mn2ZnTe tetrahedra. The corner-sharing octahedral tilt angles range from 77-79°. The Te(1)-Te(1) bond length is 2.80 Å. In the second Te site, Te(2) is bonded to two equivalent Mn(1), one Zn(1), and one Te(2) atom to form distorted TeMn2ZnTe tetrahedra that share  a cornercorner with one Zn(1)Te6 octahedra, corners with two equivalent Mn(1)Te6 octahedra, corners with seven equivalent Te(2)Mn2ZnTe tetrahedra, and corners with eight equivalent Te(1)MnZn2Te tetrahedra. The corner-sharing octahedral tilt angles range from 78-80°. The Te(2)-Te(2) bond length is 2.84 Å.