The material structure described by Na2Hg3S4 crystallizes in the orthorhombic Pbca space group. Na(1) is bonded in a 5-coordinate geometry to two equivalent S(2) and three equivalent S(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(2) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Na(1), one Hg(1), and one Hg(2) atom to form a mixture of corner and edge-sharing SNa3Hg2 trigonal bipyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1) and two equivalent Hg(1) atoms. is represented by the CIF file [CIF]
data_Na2Hg3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.445
_cell_length_b   8.300
_cell_length_c   14.019
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   866.179
_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
  Na  Na0  1  0.434  0.618  0.609  1.0
  Na  Na1  1  0.934  0.382  0.891  1.0
  Na  Na2  1  0.066  0.118  0.391  1.0
  Na  Na3  1  0.566  0.882  0.109  1.0
  Na  Na4  1  0.566  0.382  0.391  1.0
  Na  Na5  1  0.066  0.618  0.109  1.0
  Na  Na6  1  0.934  0.882  0.609  1.0
  Na  Na7  1  0.434  0.118  0.891  1.0
  Hg  Hg8  1  0.267  0.773  0.309  1.0
  Hg  Hg9  1  0.767  0.227  0.191  1.0
  Hg  Hg10  1  0.233  0.273  0.691  1.0
  Hg  Hg11  1  0.733  0.727  0.809  1.0
  Hg  Hg12  1  0.733  0.227  0.691  1.0
  Hg  Hg13  1  0.233  0.773  0.809  1.0
  Hg  Hg14  1  0.767  0.727  0.309  1.0
  Hg  Hg15  1  0.267  0.273  0.191  1.0
  Hg  Hg16  1  0.500  0.000  0.500  1.0
  Hg  Hg17  1  0.000  0.000  0.000  1.0
  Hg  Hg18  1  0.000  0.500  0.500  1.0
  Hg  Hg19  1  0.500  0.500  0.000  1.0
  S  S20  1  0.736  0.656  0.485  1.0
  S  S21  1  0.236  0.344  0.015  1.0
  S  S22  1  0.764  0.156  0.515  1.0
  S  S23  1  0.264  0.844  0.985  1.0
  S  S24  1  0.264  0.344  0.515  1.0
  S  S25  1  0.764  0.656  0.985  1.0
  S  S26  1  0.236  0.844  0.485  1.0
  S  S27  1  0.736  0.156  0.015  1.0
  S  S28  1  0.511  0.899  0.731  1.0
  S  S29  1  0.011  0.101  0.769  1.0
  S  S30  1  0.989  0.399  0.269  1.0
  S  S31  1  0.489  0.601  0.231  1.0
  S  S32  1  0.489  0.101  0.269  1.0
  S  S33  1  0.989  0.899  0.231  1.0
  S  S34  1  0.011  0.601  0.731  1.0
  S  S35  1  0.511  0.399  0.769  1.0
[/CIF]
.
The material structure described by Na2Hg3S4 crystallizes in the orthorhombic Pbca space group. Na(1) is bonded in a 5-coordinate geometry to two equivalent S(2) and three equivalent S(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(2) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Na(1), one Hg(1), and one Hg(2) atom to form a mixture of corner and edge-sharing SNa3Hg2 trigonal bipyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1) and two equivalent Hg(1) atoms. is represented by the CIF file [CIF]
data_Na2Hg3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.445
_cell_length_b   8.300
_cell_length_c   14.019
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   866.179
_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
  Na  Na0  1  0.434  0.618  0.609  1.0
  Na  Na1  1  0.934  0.382  0.891  1.0
  Na  Na2  1  0.066  0.118  0.391  1.0
  Na  Na3  1  0.566  0.882  0.109  1.0
  Na  Na4  1  0.566  0.382  0.391  1.0
  Na  Na5  1  0.066  0.618  0.109  1.0
  Na  Na6  1  0.934  0.882  0.609  1.0
  Na  Na7  1  0.434  0.118  0.891  1.0
  Hg  Hg8  1  0.267  0.773  0.309  1.0
  Hg  Hg9  1  0.767  0.227  0.191  1.0
  Hg  Hg10  1  0.233  0.273  0.691  1.0
  Hg  Hg11  1  0.733  0.727  0.809  1.0
  Hg  Hg12  1  0.733  0.227  0.691  1.0
  Hg  Hg13  1  0.233  0.773  0.809  1.0
  Hg  Hg14  1  0.767  0.727  0.309  1.0
  Hg  Hg15  1  0.267  0.273  0.191  1.0
  Hg  Hg16  1  0.500  0.000  0.500  1.0
  Hg  Hg17  1  0.000  0.000  0.000  1.0
  Hg  Hg18  1  0.000  0.500  0.500  1.0
  Hg  Hg19  1  0.500  0.500  0.000  1.0
  S  S20  1  0.736  0.656  0.485  1.0
  S  S21  1  0.236  0.344  0.015  1.0
  S  S22  1  0.764  0.156  0.515  1.0
  S  S23  1  0.264  0.844  0.985  1.0
  S  S24  1  0.264  0.344  0.515  1.0
  S  S25  1  0.764  0.656  0.985  1.0
  S  S26  1  0.236  0.844  0.485  1.0
  S  S27  1  0.736  0.156  0.015  1.0
  S  S28  1  0.511  0.899  0.731  1.0
  S  S29  1  0.011  0.101  0.769  1.0
  S  S30  1  0.989  0.399  0.269  1.0
  S  S31  1  0.489  0.601  0.231  1.0
  S  S32  1  0.489  0.101  0.269  1.0
  S  S33  1  0.989  0.899  0.231  1.0
  S  S34  1  0.011  0.601  0.731  1.0
  S  S35  1  0.511  0.399  0.769  1.0
[/CIF]
.