The compound described by Mn3CdTe4 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form MnTe4 tetrahedra that share corners with three equivalent Mn(2)Te4 tetrahedra, corners with three equivalent Cd(1)Te4 tetrahedra, and corners with six equivalent Mn(1)Te4 tetrahedra. In the second Mn site, Mn(2) is bonded to one Te(3) and three equivalent Te(2) atoms to form corner-sharing MnTe4 tetrahedra. In the third Mn site, Mn(3) is bonded to one Te(4) and three equivalent Te(3) atoms to form MnTe4 tetrahedra that share corners with three equivalent Mn(2)Te4 tetrahedra, corners with three equivalent Cd(1)Te4 tetrahedra, and corners with six equivalent Mn(3)Te4 tetrahedra. Cd(1) is bonded to one Te(1) and three equivalent Te(4) atoms to form CdTe4 tetrahedra that share corners with three equivalent Mn(1)Te4 tetrahedra, corners with three equivalent Mn(3)Te4 tetrahedra, and corners with six equivalent Cd(1)Te4 tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Mn(1) and one Cd(1) atom to form TeMn3Cd tetrahedra that share corners with three equivalent Te(2)Mn4 tetrahedra, corners with three equivalent Te(4)MnCd3 tetrahedra, and corners with six equivalent Te(1)Mn3Cd tetrahedra. In the second Te site, Te(2) is bonded to one Mn(1) and three equivalent Mn(2) atoms to form TeMn4 tetrahedra that share corners with three equivalent Te(1)Mn3Cd tetrahedra, corners with three equivalent Te(3)Mn4 tetrahedra, and corners with six equivalent Te(2)Mn4 tetrahedra. In the third Te site, Te(3) is bonded to one Mn(2) and three equivalent Mn(3) atoms to form TeMn4 tetrahedra that share corners with three equivalent Te(2)Mn4 tetrahedra, corners with three equivalent Te(4)MnCd3 tetrahedra, and corners with six equivalent Te(3)Mn4 tetrahedra. In the fourth Te site, Te(4) is bonded to one Mn(3) and three equivalent Cd(1) atoms to form TeMnCd3 tetrahedra that share corners with three equivalent Te(1)Mn3Cd tetrahedra, corners with three equivalent Te(3)Mn4 tetrahedra, and corners with six equivalent Te(4)MnCd3 tetrahedra. is represented by the CIF card [CIF]
data_Mn3CdTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.032
_cell_length_b   15.032
_cell_length_c   15.032
_cell_angle_alpha   17.478
_cell_angle_beta   17.478
_cell_angle_gamma   17.478
_symmetry_Int_Tables_number   1
_cell_volume   267.393
_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  0.750  0.750  0.750  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.249  0.249  0.249  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.065  0.065  0.065  1.0
  Te  Te5  1  0.813  0.813  0.813  1.0
  Te  Te6  1  0.563  0.563  0.563  1.0
  Te  Te7  1  0.310  0.310  0.310  1.0
[/CIF]
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The compound described by Mn3CdTe4 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form MnTe4 tetrahedra that share corners with three equivalent Mn(2)Te4 tetrahedra, corners with three equivalent Cd(1)Te4 tetrahedra, and corners with six equivalent Mn(1)Te4 tetrahedra. In the second Mn site, Mn(2) is bonded to one Te(3) and three equivalent Te(2) atoms to form corner-sharing MnTe4 tetrahedra. In the third Mn site, Mn(3) is bonded to one Te(4) and three equivalent Te(3) atoms to form MnTe4 tetrahedra that share corners with three equivalent Mn(2)Te4 tetrahedra, corners with three equivalent Cd(1)Te4 tetrahedra, and corners with six equivalent Mn(3)Te4 tetrahedra. Cd(1) is bonded to one Te(1) and three equivalent Te(4) atoms to form CdTe4 tetrahedra that share corners with three equivalent Mn(1)Te4 tetrahedra, corners with three equivalent Mn(3)Te4 tetrahedra, and corners with six equivalent Cd(1)Te4 tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Mn(1) and one Cd(1) atom to form TeMn3Cd tetrahedra that share corners with three equivalent Te(2)Mn4 tetrahedra, corners with three equivalent Te(4)MnCd3 tetrahedra, and corners with six equivalent Te(1)Mn3Cd tetrahedra. In the second Te site, Te(2) is bonded to one Mn(1) and three equivalent Mn(2) atoms to form TeMn4 tetrahedra that share corners with three equivalent Te(1)Mn3Cd tetrahedra, corners with three equivalent Te(3)Mn4 tetrahedra, and corners with six equivalent Te(2)Mn4 tetrahedra. In the third Te site, Te(3) is bonded to one Mn(2) and three equivalent Mn(3) atoms to form TeMn4 tetrahedra that share corners with three equivalent Te(2)Mn4 tetrahedra, corners with three equivalent Te(4)MnCd3 tetrahedra, and corners with six equivalent Te(3)Mn4 tetrahedra. In the fourth Te site, Te(4) is bonded to one Mn(3) and three equivalent Cd(1) atoms to form TeMnCd3 tetrahedra that share corners with three equivalent Te(1)Mn3Cd tetrahedra, corners with three equivalent Te(3)Mn4 tetrahedra, and corners with six equivalent Te(4)MnCd3 tetrahedra. is represented by the CIF card [CIF]
data_Mn3CdTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.032
_cell_length_b   15.032
_cell_length_c   15.032
_cell_angle_alpha   17.478
_cell_angle_beta   17.478
_cell_angle_gamma   17.478
_symmetry_Int_Tables_number   1
_cell_volume   267.393
_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  0.750  0.750  0.750  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.249  0.249  0.249  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.065  0.065  0.065  1.0
  Te  Te5  1  0.813  0.813  0.813  1.0
  Te  Te6  1  0.563  0.563  0.563  1.0
  Te  Te7  1  0.310  0.310  0.310  1.0
[/CIF]
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