The material structure described by PdHgP2O7 crystallizes in the monoclinic C2/c space group. Pd(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. Hg(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Pd(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Hg(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Pd(1), one Hg(1), and one P(1) atom. is represented by the CIF card [CIF]
data_HgP2PdO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.629
_cell_length_b   7.629
_cell_length_c   8.965
_cell_angle_alpha   79.717
_cell_angle_beta   79.717
_cell_angle_gamma   38.049
_symmetry_Int_Tables_number   1
_cell_volume   315.802
_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  0.500  0.000  0.000  1.0
  Hg  Hg1  1  0.000  0.500  0.500  1.0
  P  P2  1  0.734  0.467  0.226  1.0
  P  P3  1  0.533  0.266  0.274  1.0
  P  P4  1  0.266  0.533  0.774  1.0
  P  P5  1  0.467  0.734  0.726  1.0
  Pd  Pd6  1  0.000  0.000  0.000  1.0
  Pd  Pd7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.928  0.286  0.088  1.0
  O  O9  1  0.714  0.072  0.412  1.0
  O  O10  1  0.072  0.714  0.912  1.0
  O  O11  1  0.286  0.928  0.588  1.0
  O  O12  1  0.476  0.524  0.250  1.0
  O  O13  1  0.524  0.476  0.750  1.0
  O  O14  1  0.403  0.240  0.795  1.0
  O  O15  1  0.760  0.597  0.705  1.0
  O  O16  1  0.597  0.760  0.205  1.0
  O  O17  1  0.240  0.403  0.295  1.0
  O  O18  1  0.669  0.123  0.122  1.0
  O  O19  1  0.877  0.331  0.378  1.0
  O  O20  1  0.331  0.877  0.878  1.0
  O  O21  1  0.123  0.669  0.622  1.0
[/CIF]
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The material structure described by PdHgP2O7 crystallizes in the monoclinic C2/c space group. Pd(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. Hg(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Pd(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Hg(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Pd(1), one Hg(1), and one P(1) atom. is represented by the CIF card [CIF]
data_HgP2PdO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.629
_cell_length_b   7.629
_cell_length_c   8.965
_cell_angle_alpha   79.717
_cell_angle_beta   79.717
_cell_angle_gamma   38.049
_symmetry_Int_Tables_number   1
_cell_volume   315.802
_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  0.500  0.000  0.000  1.0
  Hg  Hg1  1  0.000  0.500  0.500  1.0
  P  P2  1  0.734  0.467  0.226  1.0
  P  P3  1  0.533  0.266  0.274  1.0
  P  P4  1  0.266  0.533  0.774  1.0
  P  P5  1  0.467  0.734  0.726  1.0
  Pd  Pd6  1  0.000  0.000  0.000  1.0
  Pd  Pd7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.928  0.286  0.088  1.0
  O  O9  1  0.714  0.072  0.412  1.0
  O  O10  1  0.072  0.714  0.912  1.0
  O  O11  1  0.286  0.928  0.588  1.0
  O  O12  1  0.476  0.524  0.250  1.0
  O  O13  1  0.524  0.476  0.750  1.0
  O  O14  1  0.403  0.240  0.795  1.0
  O  O15  1  0.760  0.597  0.705  1.0
  O  O16  1  0.597  0.760  0.205  1.0
  O  O17  1  0.240  0.403  0.295  1.0
  O  O18  1  0.669  0.123  0.122  1.0
  O  O19  1  0.877  0.331  0.378  1.0
  O  O20  1  0.331  0.877  0.878  1.0
  O  O21  1  0.123  0.669  0.622  1.0
[/CIF]
.