The material described by 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°. is represented by the CIF card [CIF]
data_MnZnTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.896
_cell_length_b   6.879
_cell_length_c   6.907
_cell_angle_alpha   89.829
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   327.655
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Zn  Zn2  1  0.500  0.000  0.500  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.885  0.121  0.384  1.0
  Te  Te5  1  0.385  0.879  0.116  1.0
  Te  Te6  1  0.121  0.385  0.880  1.0
  Te  Te7  1  0.621  0.615  0.620  1.0
  Te  Te8  1  0.115  0.879  0.616  1.0
  Te  Te9  1  0.615  0.121  0.884  1.0
  Te  Te10  1  0.879  0.615  0.120  1.0
  Te  Te11  1  0.379  0.385  0.380  1.0
[/CIF]
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The material described by 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°. is represented by the CIF card [CIF]
data_MnZnTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.896
_cell_length_b   6.879
_cell_length_c   6.907
_cell_angle_alpha   89.829
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   327.655
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Zn  Zn2  1  0.500  0.000  0.500  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.885  0.121  0.384  1.0
  Te  Te5  1  0.385  0.879  0.116  1.0
  Te  Te6  1  0.121  0.385  0.880  1.0
  Te  Te7  1  0.621  0.615  0.620  1.0
  Te  Te8  1  0.115  0.879  0.616  1.0
  Te  Te9  1  0.615  0.121  0.884  1.0
  Te  Te10  1  0.879  0.615  0.120  1.0
  Te  Te11  1  0.379  0.385  0.380  1.0
[/CIF]
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