The structure described by PrCuSe2 crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 7-coordinate geometry to three equivalent Se(2) and four equivalent Se(1) atoms. Cu(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing CuSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to four equivalent Pr(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing SePr4Cu trigonal bipyramids. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Pr(1) and three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.771
_cell_length_b   7.219
_cell_length_c   7.521
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.818
_symmetry_Int_Tables_number   1
_cell_volume   365.022
_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
  Pr  Pr0  1  0.692  0.300  0.548  1.0
  Pr  Pr1  1  0.308  0.200  0.048  1.0
  Pr  Pr2  1  0.308  0.700  0.452  1.0
  Pr  Pr3  1  0.692  0.800  0.952  1.0
  Cu  Cu4  1  0.066  0.547  0.840  1.0
  Cu  Cu5  1  0.934  0.453  0.160  1.0
  Cu  Cu6  1  0.066  0.047  0.660  1.0
  Cu  Cu7  1  0.934  0.953  0.340  1.0
  Se  Se8  1  0.414  0.002  0.723  1.0
  Se  Se9  1  0.414  0.502  0.777  1.0
  Se  Se10  1  0.586  0.498  0.223  1.0
  Se  Se11  1  0.586  0.998  0.277  1.0
  Se  Se12  1  0.905  0.723  0.613  1.0
  Se  Se13  1  0.095  0.777  0.113  1.0
  Se  Se14  1  0.095  0.277  0.387  1.0
  Se  Se15  1  0.905  0.223  0.887  1.0
[/CIF]
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The structure described by PrCuSe2 crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 7-coordinate geometry to three equivalent Se(2) and four equivalent Se(1) atoms. Cu(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing CuSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to four equivalent Pr(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing SePr4Cu trigonal bipyramids. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Pr(1) and three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.771
_cell_length_b   7.219
_cell_length_c   7.521
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.818
_symmetry_Int_Tables_number   1
_cell_volume   365.022
_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
  Pr  Pr0  1  0.692  0.300  0.548  1.0
  Pr  Pr1  1  0.308  0.200  0.048  1.0
  Pr  Pr2  1  0.308  0.700  0.452  1.0
  Pr  Pr3  1  0.692  0.800  0.952  1.0
  Cu  Cu4  1  0.066  0.547  0.840  1.0
  Cu  Cu5  1  0.934  0.453  0.160  1.0
  Cu  Cu6  1  0.066  0.047  0.660  1.0
  Cu  Cu7  1  0.934  0.953  0.340  1.0
  Se  Se8  1  0.414  0.002  0.723  1.0
  Se  Se9  1  0.414  0.502  0.777  1.0
  Se  Se10  1  0.586  0.498  0.223  1.0
  Se  Se11  1  0.586  0.998  0.277  1.0
  Se  Se12  1  0.905  0.723  0.613  1.0
  Se  Se13  1  0.095  0.777  0.113  1.0
  Se  Se14  1  0.095  0.277  0.387  1.0
  Se  Se15  1  0.905  0.223  0.887  1.0
[/CIF]
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