The structure described by UPd2S4 crystallizes in the tetragonal I4_1/a space group. U(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded to two equivalent U(1) and two equivalent Pd(1) atoms to form a mixture of corner and edge-sharing SU2Pd2 tetrahedra. is represented by the CIF card [CIF]
data_U(PdS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.632
_cell_length_b   7.632
_cell_length_c   7.632
_cell_angle_alpha   127.252
_cell_angle_beta   127.252
_cell_angle_gamma   77.840
_symmetry_Int_Tables_number   1
_cell_volume   272.992
_cell_formula_units_Z   2
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
  U  U0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.750  0.250  0.500  1.0
  Pd  Pd2  1  0.375  0.625  0.750  1.0
  Pd  Pd3  1  0.375  0.125  0.750  1.0
  Pd  Pd4  1  0.375  0.625  0.250  1.0
  Pd  Pd5  1  0.875  0.625  0.250  1.0
  S  S6  1  0.403  0.859  0.156  1.0
  S  S7  1  0.609  0.953  0.956  1.0
  S  S8  1  0.996  0.653  0.044  1.0
  S  S9  1  0.703  0.246  0.844  1.0
  S  S10  1  0.347  0.391  0.344  1.0
  S  S11  1  0.141  0.297  0.544  1.0
  S  S12  1  0.047  0.004  0.656  1.0
  S  S13  1  0.754  0.597  0.456  1.0
[/CIF]
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The structure described by UPd2S4 crystallizes in the tetragonal I4_1/a space group. U(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded to two equivalent U(1) and two equivalent Pd(1) atoms to form a mixture of corner and edge-sharing SU2Pd2 tetrahedra. is represented by the CIF card [CIF]
data_U(PdS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.632
_cell_length_b   7.632
_cell_length_c   7.632
_cell_angle_alpha   127.252
_cell_angle_beta   127.252
_cell_angle_gamma   77.840
_symmetry_Int_Tables_number   1
_cell_volume   272.992
_cell_formula_units_Z   2
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
  U  U0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.750  0.250  0.500  1.0
  Pd  Pd2  1  0.375  0.625  0.750  1.0
  Pd  Pd3  1  0.375  0.125  0.750  1.0
  Pd  Pd4  1  0.375  0.625  0.250  1.0
  Pd  Pd5  1  0.875  0.625  0.250  1.0
  S  S6  1  0.403  0.859  0.156  1.0
  S  S7  1  0.609  0.953  0.956  1.0
  S  S8  1  0.996  0.653  0.044  1.0
  S  S9  1  0.703  0.246  0.844  1.0
  S  S10  1  0.347  0.391  0.344  1.0
  S  S11  1  0.141  0.297  0.544  1.0
  S  S12  1  0.047  0.004  0.656  1.0
  S  S13  1  0.754  0.597  0.456  1.0
[/CIF]
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