The compound described by MnZnTe2 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. Mn(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form MnTe4 tetrahedra that share corners with six equivalent Mn(1)Te4 tetrahedra and corners with six equivalent Zn(1)Te4 tetrahedra. Zn(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with six equivalent Mn(1)Te4 tetrahedra and corners with six equivalent Zn(1)Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Mn(1) and three equivalent Zn(1) atoms to form TeMnZn3 tetrahedra that share corners with six equivalent Te(2)Mn3Zn tetrahedra and corners with six equivalent Te(1)MnZn3 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Mn(1) and one Zn(1) atom to form TeMn3Zn tetrahedra that share corners with six equivalent Te(2)Mn3Zn tetrahedra and corners with six equivalent Te(1)MnZn3 tetrahedra. is represented by the CIF card [CIF]
data_MnZnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.653
_cell_length_b   7.653
_cell_length_c   7.653
_cell_angle_alpha   33.467
_cell_angle_beta   33.467
_cell_angle_gamma   33.467
_symmetry_Int_Tables_number   1
_cell_volume   121.420
_cell_formula_units_Z   1
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  0.001  0.001  0.001  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Te  Te2  1  0.127  0.127  0.127  1.0
  Te  Te3  1  0.622  0.622  0.622  1.0
[/CIF]
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The compound described by MnZnTe2 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. Mn(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form MnTe4 tetrahedra that share corners with six equivalent Mn(1)Te4 tetrahedra and corners with six equivalent Zn(1)Te4 tetrahedra. Zn(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with six equivalent Mn(1)Te4 tetrahedra and corners with six equivalent Zn(1)Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Mn(1) and three equivalent Zn(1) atoms to form TeMnZn3 tetrahedra that share corners with six equivalent Te(2)Mn3Zn tetrahedra and corners with six equivalent Te(1)MnZn3 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Mn(1) and one Zn(1) atom to form TeMn3Zn tetrahedra that share corners with six equivalent Te(2)Mn3Zn tetrahedra and corners with six equivalent Te(1)MnZn3 tetrahedra. is represented by the CIF card [CIF]
data_MnZnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.653
_cell_length_b   7.653
_cell_length_c   7.653
_cell_angle_alpha   33.467
_cell_angle_beta   33.467
_cell_angle_gamma   33.467
_symmetry_Int_Tables_number   1
_cell_volume   121.420
_cell_formula_units_Z   1
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  0.001  0.001  0.001  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Te  Te2  1  0.127  0.127  0.127  1.0
  Te  Te3  1  0.622  0.622  0.622  1.0
[/CIF]
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