The material structure described by PdS 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 S(1) atoms. In the second Pd site, Pd(2) is bonded in a rectangular see-saw-like geometry to four equivalent S(1) atoms. In the third Pd site, Pd(3) is bonded in a square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded to one Pd(2), one Pd(3), and two equivalent Pd(1) atoms to form a mixture of corner and edge-sharing SPd4 trigonal pyramids. is represented by the CIF card [CIF]
data_PdS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.472
_cell_length_b   6.472
_cell_length_c   6.636
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.960
_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  0.531  0.743  0.000  1.0
  Pd  Pd1  1  0.257  0.531  0.500  1.0
  Pd  Pd2  1  0.743  0.469  0.500  1.0
  Pd  Pd3  1  0.469  0.257  0.000  1.0
  Pd  Pd4  1  0.000  0.000  0.750  1.0
  Pd  Pd5  1  0.000  0.000  0.250  1.0
  Pd  Pd6  1  0.500  0.000  0.500  1.0
  Pd  Pd7  1  0.000  0.500  0.000  1.0
  S  S8  1  0.194  0.308  0.772  1.0
  S  S9  1  0.692  0.194  0.272  1.0
  S  S10  1  0.308  0.806  0.272  1.0
  S  S11  1  0.806  0.692  0.772  1.0
  S  S12  1  0.806  0.692  0.228  1.0
  S  S13  1  0.308  0.806  0.728  1.0
  S  S14  1  0.692  0.194  0.728  1.0
  S  S15  1  0.194  0.308  0.228  1.0
[/CIF]
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The material structure described by PdS 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 S(1) atoms. In the second Pd site, Pd(2) is bonded in a rectangular see-saw-like geometry to four equivalent S(1) atoms. In the third Pd site, Pd(3) is bonded in a square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded to one Pd(2), one Pd(3), and two equivalent Pd(1) atoms to form a mixture of corner and edge-sharing SPd4 trigonal pyramids. is represented by the CIF card [CIF]
data_PdS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.472
_cell_length_b   6.472
_cell_length_c   6.636
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.960
_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  0.531  0.743  0.000  1.0
  Pd  Pd1  1  0.257  0.531  0.500  1.0
  Pd  Pd2  1  0.743  0.469  0.500  1.0
  Pd  Pd3  1  0.469  0.257  0.000  1.0
  Pd  Pd4  1  0.000  0.000  0.750  1.0
  Pd  Pd5  1  0.000  0.000  0.250  1.0
  Pd  Pd6  1  0.500  0.000  0.500  1.0
  Pd  Pd7  1  0.000  0.500  0.000  1.0
  S  S8  1  0.194  0.308  0.772  1.0
  S  S9  1  0.692  0.194  0.272  1.0
  S  S10  1  0.308  0.806  0.272  1.0
  S  S11  1  0.806  0.692  0.772  1.0
  S  S12  1  0.806  0.692  0.228  1.0
  S  S13  1  0.308  0.806  0.728  1.0
  S  S14  1  0.692  0.194  0.728  1.0
  S  S15  1  0.194  0.308  0.228  1.0
[/CIF]
.