The compound described by Hg7(PO5)2 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a linear geometry to two equivalent O(4) atoms. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the third Hg site, Hg(3) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(4) atoms. In the fourth Hg site, Hg(4) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(5) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Hg(2), one Hg(4), and one P(1) atom. In the second O site, O(1) is bonded in a 1-coordinate geometry to one Hg(3), one Hg(4), and one P(1) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(2) and one P(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Hg(2), one Hg(4), and one P(1) atom. In the fifth O site, O(4) is bonded to one Hg(1), one Hg(2), and two equivalent Hg(3) atoms to form a mixture of distorted corner and edge-sharing OHg4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg7(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.088
_cell_length_b   6.320
_cell_length_c   9.672
_cell_angle_alpha   84.762
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   614.086
_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  0.000  0.500  0.000  1.0
  Hg  Hg1  1  0.500  0.500  0.500  1.0
  Hg  Hg2  1  0.617  0.811  0.189  1.0
  Hg  Hg3  1  0.117  0.189  0.311  1.0
  Hg  Hg4  1  0.383  0.189  0.811  1.0
  Hg  Hg5  1  0.883  0.811  0.689  1.0
  Hg  Hg6  1  0.849  0.988  0.089  1.0
  Hg  Hg7  1  0.349  0.012  0.411  1.0
  Hg  Hg8  1  0.151  0.012  0.911  1.0
  Hg  Hg9  1  0.651  0.988  0.589  1.0
  Hg  Hg10  1  0.638  0.237  0.151  1.0
  Hg  Hg11  1  0.138  0.763  0.349  1.0
  Hg  Hg12  1  0.362  0.763  0.849  1.0
  Hg  Hg13  1  0.862  0.237  0.651  1.0
  P  P14  1  0.851  0.501  0.353  1.0
  P  P15  1  0.351  0.499  0.147  1.0
  P  P16  1  0.149  0.499  0.647  1.0
  P  P17  1  0.649  0.501  0.853  1.0
  O  O18  1  0.432  0.322  0.230  1.0
  O  O19  1  0.932  0.678  0.270  1.0
  O  O20  1  0.568  0.678  0.770  1.0
  O  O21  1  0.068  0.322  0.730  1.0
  O  O22  1  0.905  0.278  0.336  1.0
  O  O23  1  0.405  0.722  0.164  1.0
  O  O24  1  0.095  0.722  0.664  1.0
  O  O25  1  0.595  0.278  0.836  1.0
  O  O26  1  0.654  0.542  0.007  1.0
  O  O27  1  0.154  0.458  0.493  1.0
  O  O28  1  0.346  0.458  0.993  1.0
  O  O29  1  0.846  0.542  0.507  1.0
  O  O30  1  0.033  0.187  0.063  1.0
  O  O31  1  0.533  0.813  0.437  1.0
  O  O32  1  0.967  0.813  0.937  1.0
  O  O33  1  0.467  0.187  0.563  1.0
  O  O34  1  0.707  0.503  0.295  1.0
  O  O35  1  0.207  0.497  0.205  1.0
  O  O36  1  0.793  0.503  0.795  1.0
  O  O37  1  0.293  0.497  0.705  1.0
[/CIF]
.
The compound described by Hg7(PO5)2 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a linear geometry to two equivalent O(4) atoms. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the third Hg site, Hg(3) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(4) atoms. In the fourth Hg site, Hg(4) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(5) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Hg(2), one Hg(4), and one P(1) atom. In the second O site, O(1) is bonded in a 1-coordinate geometry to one Hg(3), one Hg(4), and one P(1) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(2) and one P(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Hg(2), one Hg(4), and one P(1) atom. In the fifth O site, O(4) is bonded to one Hg(1), one Hg(2), and two equivalent Hg(3) atoms to form a mixture of distorted corner and edge-sharing OHg4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg7(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.088
_cell_length_b   6.320
_cell_length_c   9.672
_cell_angle_alpha   84.762
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   614.086
_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  0.000  0.500  0.000  1.0
  Hg  Hg1  1  0.500  0.500  0.500  1.0
  Hg  Hg2  1  0.617  0.811  0.189  1.0
  Hg  Hg3  1  0.117  0.189  0.311  1.0
  Hg  Hg4  1  0.383  0.189  0.811  1.0
  Hg  Hg5  1  0.883  0.811  0.689  1.0
  Hg  Hg6  1  0.849  0.988  0.089  1.0
  Hg  Hg7  1  0.349  0.012  0.411  1.0
  Hg  Hg8  1  0.151  0.012  0.911  1.0
  Hg  Hg9  1  0.651  0.988  0.589  1.0
  Hg  Hg10  1  0.638  0.237  0.151  1.0
  Hg  Hg11  1  0.138  0.763  0.349  1.0
  Hg  Hg12  1  0.362  0.763  0.849  1.0
  Hg  Hg13  1  0.862  0.237  0.651  1.0
  P  P14  1  0.851  0.501  0.353  1.0
  P  P15  1  0.351  0.499  0.147  1.0
  P  P16  1  0.149  0.499  0.647  1.0
  P  P17  1  0.649  0.501  0.853  1.0
  O  O18  1  0.432  0.322  0.230  1.0
  O  O19  1  0.932  0.678  0.270  1.0
  O  O20  1  0.568  0.678  0.770  1.0
  O  O21  1  0.068  0.322  0.730  1.0
  O  O22  1  0.905  0.278  0.336  1.0
  O  O23  1  0.405  0.722  0.164  1.0
  O  O24  1  0.095  0.722  0.664  1.0
  O  O25  1  0.595  0.278  0.836  1.0
  O  O26  1  0.654  0.542  0.007  1.0
  O  O27  1  0.154  0.458  0.493  1.0
  O  O28  1  0.346  0.458  0.993  1.0
  O  O29  1  0.846  0.542  0.507  1.0
  O  O30  1  0.033  0.187  0.063  1.0
  O  O31  1  0.533  0.813  0.437  1.0
  O  O32  1  0.967  0.813  0.937  1.0
  O  O33  1  0.467  0.187  0.563  1.0
  O  O34  1  0.707  0.503  0.295  1.0
  O  O35  1  0.207  0.497  0.205  1.0
  O  O36  1  0.793  0.503  0.795  1.0
  O  O37  1  0.293  0.497  0.705  1.0
[/CIF]
.