The material described by Na3Hg2 crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent Na(3) and six equivalent Hg(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent Na(3) and six equivalent Hg(1) atoms. In the third Na site, Na(3) is bonded in a 10-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and four equivalent Hg(1) atoms. In the fourth Na site, Na(3) is bonded in a 10-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and four equivalent Hg(1) atoms. Hg(1) is bonded in a 6-coordinate geometry to two equivalent Na(3), three equivalent Na(1), and three equivalent Na(2) atoms. is represented by the CIF file [CIF]
data_Na3Hg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.185
_cell_length_b   8.534
_cell_length_c   8.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   523.220
_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  0.000  0.632  0.632  1.0
  Na  Na1  1  0.000  0.816  0.184  1.0
  Na  Na2  1  0.000  0.368  0.368  1.0
  Na  Na3  1  0.500  0.132  0.868  1.0
  Na  Na4  1  0.000  0.500  0.000  1.0
  Na  Na5  1  0.500  0.500  0.000  1.0
  Na  Na6  1  0.500  0.684  0.684  1.0
  Na  Na7  1  0.000  0.000  0.500  1.0
  Na  Na8  1  0.500  0.868  0.132  1.0
  Na  Na9  1  0.500  0.316  0.316  1.0
  Na  Na10  1  0.000  0.184  0.816  1.0
  Na  Na11  1  0.500  0.000  0.500  1.0
  Hg  Hg12  1  0.799  0.138  0.138  1.0
  Hg  Hg13  1  0.701  0.362  0.638  1.0
  Hg  Hg14  1  0.201  0.138  0.138  1.0
  Hg  Hg15  1  0.299  0.362  0.638  1.0
  Hg  Hg16  1  0.201  0.862  0.862  1.0
  Hg  Hg17  1  0.299  0.638  0.362  1.0
  Hg  Hg18  1  0.701  0.638  0.362  1.0
  Hg  Hg19  1  0.799  0.862  0.862  1.0
[/CIF]
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The material described by Na3Hg2 crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent Na(3) and six equivalent Hg(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent Na(3) and six equivalent Hg(1) atoms. In the third Na site, Na(3) is bonded in a 10-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and four equivalent Hg(1) atoms. In the fourth Na site, Na(3) is bonded in a 10-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and four equivalent Hg(1) atoms. Hg(1) is bonded in a 6-coordinate geometry to two equivalent Na(3), three equivalent Na(1), and three equivalent Na(2) atoms. is represented by the CIF file [CIF]
data_Na3Hg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.185
_cell_length_b   8.534
_cell_length_c   8.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   523.220
_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  0.000  0.632  0.632  1.0
  Na  Na1  1  0.000  0.816  0.184  1.0
  Na  Na2  1  0.000  0.368  0.368  1.0
  Na  Na3  1  0.500  0.132  0.868  1.0
  Na  Na4  1  0.000  0.500  0.000  1.0
  Na  Na5  1  0.500  0.500  0.000  1.0
  Na  Na6  1  0.500  0.684  0.684  1.0
  Na  Na7  1  0.000  0.000  0.500  1.0
  Na  Na8  1  0.500  0.868  0.132  1.0
  Na  Na9  1  0.500  0.316  0.316  1.0
  Na  Na10  1  0.000  0.184  0.816  1.0
  Na  Na11  1  0.500  0.000  0.500  1.0
  Hg  Hg12  1  0.799  0.138  0.138  1.0
  Hg  Hg13  1  0.701  0.362  0.638  1.0
  Hg  Hg14  1  0.201  0.138  0.138  1.0
  Hg  Hg15  1  0.299  0.362  0.638  1.0
  Hg  Hg16  1  0.201  0.862  0.862  1.0
  Hg  Hg17  1  0.299  0.638  0.362  1.0
  Hg  Hg18  1  0.701  0.638  0.362  1.0
  Hg  Hg19  1  0.799  0.862  0.862  1.0
[/CIF]
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