The structure described by PdSe crystallizes in the tetragonal P4_2/m space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a rectangular see-saw-like geometry to four equivalent Se(1) atoms. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to four equivalent Se(1) atoms. In the third Pd site, Pd(3) is bonded in a rectangular see-saw-like geometry to four equivalent Se(1) atoms. Se(1) is bonded to one Pd(2), one Pd(3), and two equivalent Pd(1) atoms to form a mixture of edge and corner-sharing SePd4 trigonal pyramids. is represented by the CIF file [CIF]
data_PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.793
_cell_length_b   6.793
_cell_length_c   6.952
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   320.763
_cell_formula_units_Z   8
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
  Pd  Pd0  1  0.532  0.740  0.000  1.0
  Pd  Pd1  1  0.260  0.532  0.500  1.0
  Pd  Pd2  1  0.740  0.468  0.500  1.0
  Pd  Pd3  1  0.468  0.260  0.000  1.0
  Pd  Pd4  1  0.500  0.000  0.500  1.0
  Pd  Pd5  1  0.000  0.500  0.000  1.0
  Pd  Pd6  1  1.000  1.000  0.750  1.0
  Pd  Pd7  1  1.000  1.000  0.250  1.0
  Se  Se8  1  0.193  0.308  0.771  1.0
  Se  Se9  1  0.692  0.193  0.271  1.0
  Se  Se10  1  0.308  0.807  0.271  1.0
  Se  Se11  1  0.807  0.692  0.771  1.0
  Se  Se12  1  0.807  0.692  0.229  1.0
  Se  Se13  1  0.308  0.807  0.729  1.0
  Se  Se14  1  0.692  0.193  0.729  1.0
  Se  Se15  1  0.193  0.308  0.229  1.0
[/CIF]
.
The structure described by PdSe crystallizes in the tetragonal P4_2/m space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a rectangular see-saw-like geometry to four equivalent Se(1) atoms. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to four equivalent Se(1) atoms. In the third Pd site, Pd(3) is bonded in a rectangular see-saw-like geometry to four equivalent Se(1) atoms. Se(1) is bonded to one Pd(2), one Pd(3), and two equivalent Pd(1) atoms to form a mixture of edge and corner-sharing SePd4 trigonal pyramids. is represented by the CIF file [CIF]
data_PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.793
_cell_length_b   6.793
_cell_length_c   6.952
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   320.763
_cell_formula_units_Z   8
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
  Pd  Pd0  1  0.532  0.740  0.000  1.0
  Pd  Pd1  1  0.260  0.532  0.500  1.0
  Pd  Pd2  1  0.740  0.468  0.500  1.0
  Pd  Pd3  1  0.468  0.260  0.000  1.0
  Pd  Pd4  1  0.500  0.000  0.500  1.0
  Pd  Pd5  1  0.000  0.500  0.000  1.0
  Pd  Pd6  1  1.000  1.000  0.750  1.0
  Pd  Pd7  1  1.000  1.000  0.250  1.0
  Se  Se8  1  0.193  0.308  0.771  1.0
  Se  Se9  1  0.692  0.193  0.271  1.0
  Se  Se10  1  0.308  0.807  0.271  1.0
  Se  Se11  1  0.807  0.692  0.771  1.0
  Se  Se12  1  0.807  0.692  0.229  1.0
  Se  Se13  1  0.308  0.807  0.729  1.0
  Se  Se14  1  0.692  0.193  0.729  1.0
  Se  Se15  1  0.193  0.308  0.229  1.0
[/CIF]
.