The crystal structure described by Mn(CuSe)2 crystallizes in the cubic F-43m space group. Mn(1) is bonded in a 9-coordinate geometry to three equivalent Cu(1), three equivalent Se(1), and three equivalent Se(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent Mn(1), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Cu site, Cu(2) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. In the third Cu site, Cu(3) is bonded in a tetrahedral geometry to four equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 7-coordinate geometry to three equivalent Mn(1), one Cu(2), and three equivalent Cu(1) atoms. In the second Se site, Se(2) is bonded in a 7-coordinate geometry to three equivalent Mn(1), one Cu(3), and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Mn(CuSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.078
_cell_length_b   8.078
_cell_length_c   8.078
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   372.735
_cell_formula_units_Z   4
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  0.613  0.129  0.129  1.0
  Mn  Mn1  1  0.129  0.613  0.129  1.0
  Mn  Mn2  1  0.129  0.129  0.613  1.0
  Mn  Mn3  1  0.129  0.129  0.129  1.0
  Cu  Cu4  1  0.257  0.257  0.743  1.0
  Cu  Cu5  1  0.743  0.743  0.257  1.0
  Cu  Cu6  1  0.257  0.743  0.257  1.0
  Cu  Cu7  1  0.743  0.257  0.743  1.0
  Cu  Cu8  1  0.743  0.257  0.257  1.0
  Cu  Cu9  1  0.257  0.743  0.743  1.0
  Cu  Cu10  1  0.750  0.750  0.750  1.0
  Cu  Cu11  1  0.500  0.500  0.500  1.0
  Se  Se12  1  0.378  0.874  0.874  1.0
  Se  Se13  1  0.874  0.378  0.874  1.0
  Se  Se14  1  0.874  0.874  0.378  1.0
  Se  Se15  1  0.874  0.874  0.874  1.0
  Se  Se16  1  0.891  0.370  0.370  1.0
  Se  Se17  1  0.370  0.891  0.370  1.0
  Se  Se18  1  0.370  0.370  0.891  1.0
  Se  Se19  1  0.370  0.370  0.370  1.0
[/CIF]
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The crystal structure described by Mn(CuSe)2 crystallizes in the cubic F-43m space group. Mn(1) is bonded in a 9-coordinate geometry to three equivalent Cu(1), three equivalent Se(1), and three equivalent Se(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent Mn(1), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Cu site, Cu(2) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. In the third Cu site, Cu(3) is bonded in a tetrahedral geometry to four equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 7-coordinate geometry to three equivalent Mn(1), one Cu(2), and three equivalent Cu(1) atoms. In the second Se site, Se(2) is bonded in a 7-coordinate geometry to three equivalent Mn(1), one Cu(3), and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Mn(CuSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.078
_cell_length_b   8.078
_cell_length_c   8.078
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   372.735
_cell_formula_units_Z   4
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  0.613  0.129  0.129  1.0
  Mn  Mn1  1  0.129  0.613  0.129  1.0
  Mn  Mn2  1  0.129  0.129  0.613  1.0
  Mn  Mn3  1  0.129  0.129  0.129  1.0
  Cu  Cu4  1  0.257  0.257  0.743  1.0
  Cu  Cu5  1  0.743  0.743  0.257  1.0
  Cu  Cu6  1  0.257  0.743  0.257  1.0
  Cu  Cu7  1  0.743  0.257  0.743  1.0
  Cu  Cu8  1  0.743  0.257  0.257  1.0
  Cu  Cu9  1  0.257  0.743  0.743  1.0
  Cu  Cu10  1  0.750  0.750  0.750  1.0
  Cu  Cu11  1  0.500  0.500  0.500  1.0
  Se  Se12  1  0.378  0.874  0.874  1.0
  Se  Se13  1  0.874  0.378  0.874  1.0
  Se  Se14  1  0.874  0.874  0.378  1.0
  Se  Se15  1  0.874  0.874  0.874  1.0
  Se  Se16  1  0.891  0.370  0.370  1.0
  Se  Se17  1  0.370  0.891  0.370  1.0
  Se  Se18  1  0.370  0.370  0.891  1.0
  Se  Se19  1  0.370  0.370  0.370  1.0
[/CIF]
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