The structure described by MnCd4Te5 is Chalcopyrite-like structured and crystallizes in the tetragonal I-4 space group. Mn(1) is bonded to four equivalent Te(1) atoms to form MnTe4 tetrahedra that share corners with twelve equivalent Cd(1)Te4 tetrahedra. Cd(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form CdTe4 tetrahedra that share corners with three equivalent Mn(1)Te4 tetrahedra and corners with nine equivalent Cd(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 Cd(1) atoms to form TeMnCd3 tetrahedra that share corners with three equivalent Te(2)Cd4 tetrahedra and corners with nine equivalent Te(1)MnCd3 tetrahedra. In the second Te site, Te(2) is bonded to four equivalent Cd(1) atoms to form corner-sharing TeCd4 tetrahedra. is represented by the CIF card [CIF]
data_MnCd4Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.513
_cell_length_b   7.977
_cell_length_c   7.977
_cell_angle_alpha   80.401
_cell_angle_beta   65.898
_cell_angle_gamma   65.909
_symmetry_Int_Tables_number   1
_cell_volume   345.378
_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  0.800  0.800  0.600  1.0
  Cd  Cd1  1  0.000  0.998  0.999  1.0
  Cd  Cd2  1  0.201  0.199  0.402  1.0
  Cd  Cd3  1  0.402  0.401  0.798  1.0
  Cd  Cd4  1  0.597  0.602  0.201  1.0
  Te  Te5  1  0.461  0.702  0.892  1.0
  Te  Te6  1  0.655  0.898  0.309  1.0
  Te  Te7  1  0.848  0.091  0.698  1.0
  Te  Te8  1  0.050  0.300  0.100  1.0
  Te  Te9  1  0.237  0.508  0.502  1.0
[/CIF]
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The structure described by MnCd4Te5 is Chalcopyrite-like structured and crystallizes in the tetragonal I-4 space group. Mn(1) is bonded to four equivalent Te(1) atoms to form MnTe4 tetrahedra that share corners with twelve equivalent Cd(1)Te4 tetrahedra. Cd(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form CdTe4 tetrahedra that share corners with three equivalent Mn(1)Te4 tetrahedra and corners with nine equivalent Cd(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 Cd(1) atoms to form TeMnCd3 tetrahedra that share corners with three equivalent Te(2)Cd4 tetrahedra and corners with nine equivalent Te(1)MnCd3 tetrahedra. In the second Te site, Te(2) is bonded to four equivalent Cd(1) atoms to form corner-sharing TeCd4 tetrahedra. is represented by the CIF card [CIF]
data_MnCd4Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.513
_cell_length_b   7.977
_cell_length_c   7.977
_cell_angle_alpha   80.401
_cell_angle_beta   65.898
_cell_angle_gamma   65.909
_symmetry_Int_Tables_number   1
_cell_volume   345.378
_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  0.800  0.800  0.600  1.0
  Cd  Cd1  1  0.000  0.998  0.999  1.0
  Cd  Cd2  1  0.201  0.199  0.402  1.0
  Cd  Cd3  1  0.402  0.401  0.798  1.0
  Cd  Cd4  1  0.597  0.602  0.201  1.0
  Te  Te5  1  0.461  0.702  0.892  1.0
  Te  Te6  1  0.655  0.898  0.309  1.0
  Te  Te7  1  0.848  0.091  0.698  1.0
  Te  Te8  1  0.050  0.300  0.100  1.0
  Te  Te9  1  0.237  0.508  0.502  1.0
[/CIF]
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