The material structure described by Hg3(PS4)2 crystallizes in the cubic P2_13 space group. Hg(1) is bonded in a 3-coordinate geometry to one S(2), one S(3), and one S(4) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(4) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(4) is bonded in a water-like geometry to one Hg(1) and one P(1) atom. In the second S site, S(1) is bonded in a single-bond geometry to one P(1) atom. In the third S site, S(2) is bonded in a distorted single-bond geometry to three equivalent Hg(1) and one P(2) atom. In the fourth S site, S(3) is bonded in a water-like geometry to one Hg(1) and one P(2) atom. is represented by the CIF file [CIF]
data_Hg3(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.042
_cell_length_b   11.042
_cell_length_c   11.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1346.253
_cell_formula_units_Z   4
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  0.128  0.413  0.280  1.0
  Hg  Hg1  1  0.372  0.587  0.780  1.0
  Hg  Hg2  1  0.872  0.913  0.220  1.0
  Hg  Hg3  1  0.280  0.128  0.413  1.0
  Hg  Hg4  1  0.628  0.087  0.720  1.0
  Hg  Hg5  1  0.780  0.372  0.587  1.0
  Hg  Hg6  1  0.220  0.872  0.913  1.0
  Hg  Hg7  1  0.720  0.628  0.087  1.0
  Hg  Hg8  1  0.413  0.280  0.128  1.0
  Hg  Hg9  1  0.913  0.220  0.872  1.0
  Hg  Hg10  1  0.087  0.720  0.628  1.0
  Hg  Hg11  1  0.587  0.780  0.372  1.0
  P  P12  1  0.414  0.414  0.414  1.0
  P  P13  1  0.086  0.586  0.914  1.0
  P  P14  1  0.586  0.914  0.086  1.0
  P  P15  1  0.914  0.086  0.586  1.0
  P  P16  1  0.134  0.134  0.134  1.0
  P  P17  1  0.366  0.866  0.634  1.0
  P  P18  1  0.866  0.634  0.366  1.0
  P  P19  1  0.634  0.366  0.866  1.0
  S  S20  1  0.518  0.518  0.518  1.0
  S  S21  1  0.982  0.482  0.018  1.0
  S  S22  1  0.482  0.018  0.982  1.0
  S  S23  1  0.018  0.982  0.482  1.0
  S  S24  1  0.026  0.026  0.026  1.0
  S  S25  1  0.474  0.974  0.526  1.0
  S  S26  1  0.974  0.526  0.474  1.0
  S  S27  1  0.526  0.474  0.974  1.0
  S  S28  1  0.013  0.228  0.242  1.0
  S  S29  1  0.487  0.772  0.742  1.0
  S  S30  1  0.987  0.728  0.258  1.0
  S  S31  1  0.242  0.013  0.228  1.0
  S  S32  1  0.513  0.272  0.758  1.0
  S  S33  1  0.742  0.487  0.772  1.0
  S  S34  1  0.258  0.987  0.728  1.0
  S  S35  1  0.758  0.513  0.272  1.0
  S  S36  1  0.228  0.242  0.013  1.0
  S  S37  1  0.728  0.258  0.987  1.0
  S  S38  1  0.272  0.758  0.513  1.0
  S  S39  1  0.772  0.742  0.487  1.0
  S  S40  1  0.025  0.207  0.683  1.0
  S  S41  1  0.475  0.793  0.183  1.0
  S  S42  1  0.975  0.707  0.817  1.0
  S  S43  1  0.683  0.025  0.207  1.0
  S  S44  1  0.525  0.293  0.317  1.0
  S  S45  1  0.183  0.475  0.793  1.0
  S  S46  1  0.817  0.975  0.707  1.0
  S  S47  1  0.317  0.525  0.293  1.0
  S  S48  1  0.207  0.683  0.025  1.0
  S  S49  1  0.707  0.817  0.975  1.0
  S  S50  1  0.293  0.317  0.525  1.0
  S  S51  1  0.793  0.183  0.475  1.0
[/CIF]
.
The material structure described by Hg3(PS4)2 crystallizes in the cubic P2_13 space group. Hg(1) is bonded in a 3-coordinate geometry to one S(2), one S(3), and one S(4) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(4) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(4) is bonded in a water-like geometry to one Hg(1) and one P(1) atom. In the second S site, S(1) is bonded in a single-bond geometry to one P(1) atom. In the third S site, S(2) is bonded in a distorted single-bond geometry to three equivalent Hg(1) and one P(2) atom. In the fourth S site, S(3) is bonded in a water-like geometry to one Hg(1) and one P(2) atom. is represented by the CIF file [CIF]
data_Hg3(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.042
_cell_length_b   11.042
_cell_length_c   11.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1346.253
_cell_formula_units_Z   4
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  0.128  0.413  0.280  1.0
  Hg  Hg1  1  0.372  0.587  0.780  1.0
  Hg  Hg2  1  0.872  0.913  0.220  1.0
  Hg  Hg3  1  0.280  0.128  0.413  1.0
  Hg  Hg4  1  0.628  0.087  0.720  1.0
  Hg  Hg5  1  0.780  0.372  0.587  1.0
  Hg  Hg6  1  0.220  0.872  0.913  1.0
  Hg  Hg7  1  0.720  0.628  0.087  1.0
  Hg  Hg8  1  0.413  0.280  0.128  1.0
  Hg  Hg9  1  0.913  0.220  0.872  1.0
  Hg  Hg10  1  0.087  0.720  0.628  1.0
  Hg  Hg11  1  0.587  0.780  0.372  1.0
  P  P12  1  0.414  0.414  0.414  1.0
  P  P13  1  0.086  0.586  0.914  1.0
  P  P14  1  0.586  0.914  0.086  1.0
  P  P15  1  0.914  0.086  0.586  1.0
  P  P16  1  0.134  0.134  0.134  1.0
  P  P17  1  0.366  0.866  0.634  1.0
  P  P18  1  0.866  0.634  0.366  1.0
  P  P19  1  0.634  0.366  0.866  1.0
  S  S20  1  0.518  0.518  0.518  1.0
  S  S21  1  0.982  0.482  0.018  1.0
  S  S22  1  0.482  0.018  0.982  1.0
  S  S23  1  0.018  0.982  0.482  1.0
  S  S24  1  0.026  0.026  0.026  1.0
  S  S25  1  0.474  0.974  0.526  1.0
  S  S26  1  0.974  0.526  0.474  1.0
  S  S27  1  0.526  0.474  0.974  1.0
  S  S28  1  0.013  0.228  0.242  1.0
  S  S29  1  0.487  0.772  0.742  1.0
  S  S30  1  0.987  0.728  0.258  1.0
  S  S31  1  0.242  0.013  0.228  1.0
  S  S32  1  0.513  0.272  0.758  1.0
  S  S33  1  0.742  0.487  0.772  1.0
  S  S34  1  0.258  0.987  0.728  1.0
  S  S35  1  0.758  0.513  0.272  1.0
  S  S36  1  0.228  0.242  0.013  1.0
  S  S37  1  0.728  0.258  0.987  1.0
  S  S38  1  0.272  0.758  0.513  1.0
  S  S39  1  0.772  0.742  0.487  1.0
  S  S40  1  0.025  0.207  0.683  1.0
  S  S41  1  0.475  0.793  0.183  1.0
  S  S42  1  0.975  0.707  0.817  1.0
  S  S43  1  0.683  0.025  0.207  1.0
  S  S44  1  0.525  0.293  0.317  1.0
  S  S45  1  0.183  0.475  0.793  1.0
  S  S46  1  0.817  0.975  0.707  1.0
  S  S47  1  0.317  0.525  0.293  1.0
  S  S48  1  0.207  0.683  0.025  1.0
  S  S49  1  0.707  0.817  0.975  1.0
  S  S50  1  0.293  0.317  0.525  1.0
  S  S51  1  0.793  0.183  0.475  1.0
[/CIF]
.