The material described by PdHg2P4O8 crystallizes in the orthorhombic Fddd space group. Pd(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent P(1) atoms. Hg(1) is bonded in a distorted linear geometry to two equivalent O(2) atoms. P(1) is bonded in a bent 120 degrees geometry to one Pd(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to one Hg(1) and one P(1) atom. In the second O site, O(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_Hg2P4PdO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.762
_cell_length_b   10.042
_cell_length_c   9.495
_cell_angle_alpha   66.784
_cell_angle_beta   59.041
_cell_angle_gamma   54.175
_symmetry_Int_Tables_number   1
_cell_volume   707.100
_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
  Hg  Hg0  1  0.125  0.625  0.625  1.0
  Hg  Hg1  1  0.625  0.625  0.125  1.0
  Hg  Hg2  1  0.625  0.625  0.625  1.0
  Hg  Hg3  1  0.625  0.125  0.625  1.0
  P  P4  1  0.330  0.288  0.965  1.0
  P  P5  1  0.965  0.417  0.330  1.0
  P  P6  1  0.417  0.965  0.288  1.0
  P  P7  1  0.920  0.962  0.285  1.0
  P  P8  1  0.288  0.330  0.417  1.0
  P  P9  1  0.285  0.833  0.920  1.0
  P  P10  1  0.833  0.285  0.962  1.0
  P  P11  1  0.962  0.920  0.833  1.0
  Pd  Pd12  1  0.000  0.000  0.000  1.0
  Pd  Pd13  1  0.250  0.250  0.250  1.0
  O  O14  1  0.386  0.226  0.524  1.0
  O  O15  1  0.524  0.863  0.386  1.0
  O  O16  1  0.863  0.524  0.226  1.0
  O  O17  1  0.864  0.024  0.726  1.0
  O  O18  1  0.226  0.386  0.863  1.0
  O  O19  1  0.726  0.387  0.864  1.0
  O  O20  1  0.387  0.726  0.024  1.0
  O  O21  1  0.024  0.864  0.387  1.0
  O  O22  1  0.515  0.167  0.870  1.0
  O  O23  1  0.870  0.448  0.515  1.0
  O  O24  1  0.448  0.870  0.167  1.0
  O  O25  1  0.735  0.083  0.380  1.0
  O  O26  1  0.167  0.515  0.448  1.0
  O  O27  1  0.380  0.802  0.735  1.0
  O  O28  1  0.802  0.380  0.083  1.0
  O  O29  1  0.083  0.735  0.802  1.0
[/CIF]
.
The material described by PdHg2P4O8 crystallizes in the orthorhombic Fddd space group. Pd(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent P(1) atoms. Hg(1) is bonded in a distorted linear geometry to two equivalent O(2) atoms. P(1) is bonded in a bent 120 degrees geometry to one Pd(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to one Hg(1) and one P(1) atom. In the second O site, O(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_Hg2P4PdO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.762
_cell_length_b   10.042
_cell_length_c   9.495
_cell_angle_alpha   66.784
_cell_angle_beta   59.041
_cell_angle_gamma   54.175
_symmetry_Int_Tables_number   1
_cell_volume   707.100
_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
  Hg  Hg0  1  0.125  0.625  0.625  1.0
  Hg  Hg1  1  0.625  0.625  0.125  1.0
  Hg  Hg2  1  0.625  0.625  0.625  1.0
  Hg  Hg3  1  0.625  0.125  0.625  1.0
  P  P4  1  0.330  0.288  0.965  1.0
  P  P5  1  0.965  0.417  0.330  1.0
  P  P6  1  0.417  0.965  0.288  1.0
  P  P7  1  0.920  0.962  0.285  1.0
  P  P8  1  0.288  0.330  0.417  1.0
  P  P9  1  0.285  0.833  0.920  1.0
  P  P10  1  0.833  0.285  0.962  1.0
  P  P11  1  0.962  0.920  0.833  1.0
  Pd  Pd12  1  0.000  0.000  0.000  1.0
  Pd  Pd13  1  0.250  0.250  0.250  1.0
  O  O14  1  0.386  0.226  0.524  1.0
  O  O15  1  0.524  0.863  0.386  1.0
  O  O16  1  0.863  0.524  0.226  1.0
  O  O17  1  0.864  0.024  0.726  1.0
  O  O18  1  0.226  0.386  0.863  1.0
  O  O19  1  0.726  0.387  0.864  1.0
  O  O20  1  0.387  0.726  0.024  1.0
  O  O21  1  0.024  0.864  0.387  1.0
  O  O22  1  0.515  0.167  0.870  1.0
  O  O23  1  0.870  0.448  0.515  1.0
  O  O24  1  0.448  0.870  0.167  1.0
  O  O25  1  0.735  0.083  0.380  1.0
  O  O26  1  0.167  0.515  0.448  1.0
  O  O27  1  0.380  0.802  0.735  1.0
  O  O28  1  0.802  0.380  0.083  1.0
  O  O29  1  0.083  0.735  0.802  1.0
[/CIF]
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