The crystal structure described by MnCdTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Mn(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form MnTe6 octahedra that share corners with six equivalent Mn(1)Te6 octahedra, edges with four equivalent Mn(1)Te6 octahedra, and edges with eight equivalent Cd(1)Te6 octahedra. The corner-sharing octahedra are not tilted. Cd(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form CdTe6 octahedra that share corners with six equivalent Cd(1)Te6 octahedra, edges with four equivalent Cd(1)Te6 octahedra, and edges with eight equivalent Mn(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to four equivalent Mn(1) and two equivalent Cd(1) atoms to form TeMn4Cd2 octahedra that share corners with six equivalent Te(1)Mn4Cd2 octahedra, edges with four equivalent Te(1)Mn4Cd2 octahedra, and edges with eight equivalent Te(2)Mn2Cd4 octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to two equivalent Mn(1) and four equivalent Cd(1) atoms to form TeMn2Cd4 octahedra that share corners with six equivalent Te(2)Mn2Cd4 octahedra, edges with four equivalent Te(2)Mn2Cd4 octahedra, and edges with eight equivalent Te(1)Mn4Cd2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_MnCdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.231
_cell_length_b   4.231
_cell_length_c   6.014
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   107.674
_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  0.500  0.500  0.500  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.000  0.000  0.500  1.0
  Te  Te3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by MnCdTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Mn(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form MnTe6 octahedra that share corners with six equivalent Mn(1)Te6 octahedra, edges with four equivalent Mn(1)Te6 octahedra, and edges with eight equivalent Cd(1)Te6 octahedra. The corner-sharing octahedra are not tilted. Cd(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form CdTe6 octahedra that share corners with six equivalent Cd(1)Te6 octahedra, edges with four equivalent Cd(1)Te6 octahedra, and edges with eight equivalent Mn(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to four equivalent Mn(1) and two equivalent Cd(1) atoms to form TeMn4Cd2 octahedra that share corners with six equivalent Te(1)Mn4Cd2 octahedra, edges with four equivalent Te(1)Mn4Cd2 octahedra, and edges with eight equivalent Te(2)Mn2Cd4 octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to two equivalent Mn(1) and four equivalent Cd(1) atoms to form TeMn2Cd4 octahedra that share corners with six equivalent Te(2)Mn2Cd4 octahedra, edges with four equivalent Te(2)Mn2Cd4 octahedra, and edges with eight equivalent Te(1)Mn4Cd2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_MnCdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.231
_cell_length_b   4.231
_cell_length_c   6.014
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   107.674
_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  0.500  0.500  0.500  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.000  0.000  0.500  1.0
  Te  Te3  1  0.500  0.500  0.000  1.0
[/CIF]
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