The compound described by MnCdSe2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. Mn(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form MnSe4 tetrahedra that share corners with six equivalent Mn(1)Se4 tetrahedra and corners with six equivalent Cd(1)Se4 tetrahedra. Cd(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with six equivalent Mn(1)Se4 tetrahedra and corners with six equivalent Cd(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Mn(1) and one Cd(1) atom to form SeMn3Cd tetrahedra that share corners with six equivalent Se(1)Mn3Cd tetrahedra and corners with six equivalent Se(2)MnCd3 tetrahedra. In the second Se site, Se(2) is bonded to one Mn(1) and three equivalent Cd(1) atoms to form SeMnCd3 tetrahedra that share corners with six equivalent Se(1)Mn3Cd tetrahedra and corners with six equivalent Se(2)MnCd3 tetrahedra. is represented by the CIF card [CIF]
data_MnCdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.270
_cell_length_b   4.269
_cell_length_c   6.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.007
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   109.185
_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  0.333  0.333  0.004  1.0
  Cd  Cd1  1  0.667  0.667  0.497  1.0
  Se  Se2  1  0.667  0.667  0.112  1.0
  Se  Se3  1  0.333  0.333  0.637  1.0
[/CIF]
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The compound described by MnCdSe2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. Mn(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form MnSe4 tetrahedra that share corners with six equivalent Mn(1)Se4 tetrahedra and corners with six equivalent Cd(1)Se4 tetrahedra. Cd(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with six equivalent Mn(1)Se4 tetrahedra and corners with six equivalent Cd(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Mn(1) and one Cd(1) atom to form SeMn3Cd tetrahedra that share corners with six equivalent Se(1)Mn3Cd tetrahedra and corners with six equivalent Se(2)MnCd3 tetrahedra. In the second Se site, Se(2) is bonded to one Mn(1) and three equivalent Cd(1) atoms to form SeMnCd3 tetrahedra that share corners with six equivalent Se(1)Mn3Cd tetrahedra and corners with six equivalent Se(2)MnCd3 tetrahedra. is represented by the CIF card [CIF]
data_MnCdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.270
_cell_length_b   4.269
_cell_length_c   6.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.007
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   109.185
_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  0.333  0.333  0.004  1.0
  Cd  Cd1  1  0.667  0.667  0.497  1.0
  Se  Se2  1  0.667  0.667  0.112  1.0
  Se  Se3  1  0.333  0.333  0.637  1.0
[/CIF]
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