The material structure described by Hg is beta structured and crystallizes in the cubic P4_132 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted water-like geometry to two equivalent Hg(2) atoms. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to three equivalent Hg(1) and three equivalent Hg(2) atoms. is represented by the CIF card [CIF]
data_Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.316
_cell_length_b   8.316
_cell_length_c   8.316
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   575.008
_cell_formula_units_Z   20
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  0.875  0.705  0.045  1.0
  Hg  Hg1  1  0.061  0.061  0.061  1.0
  Hg  Hg2  1  0.205  0.455  0.125  1.0
  Hg  Hg3  1  0.811  0.311  0.189  1.0
  Hg  Hg4  1  0.455  0.125  0.205  1.0
  Hg  Hg5  1  0.545  0.625  0.295  1.0
  Hg  Hg6  1  0.189  0.811  0.311  1.0
  Hg  Hg7  1  0.795  0.955  0.375  1.0
  Hg  Hg8  1  0.939  0.561  0.439  1.0
  Hg  Hg9  1  0.125  0.205  0.455  1.0
  Hg  Hg10  1  0.625  0.295  0.545  1.0
  Hg  Hg11  1  0.439  0.939  0.561  1.0
  Hg  Hg12  1  0.295  0.545  0.625  1.0
  Hg  Hg13  1  0.689  0.689  0.689  1.0
  Hg  Hg14  1  0.045  0.875  0.705  1.0
  Hg  Hg15  1  0.955  0.375  0.795  1.0
  Hg  Hg16  1  0.311  0.189  0.811  1.0
  Hg  Hg17  1  0.705  0.045  0.875  1.0
  Hg  Hg18  1  0.561  0.439  0.939  1.0
  Hg  Hg19  1  0.375  0.795  0.955  1.0
[/CIF]
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The material structure described by Hg is beta structured and crystallizes in the cubic P4_132 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted water-like geometry to two equivalent Hg(2) atoms. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to three equivalent Hg(1) and three equivalent Hg(2) atoms. is represented by the CIF card [CIF]
data_Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.316
_cell_length_b   8.316
_cell_length_c   8.316
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   575.008
_cell_formula_units_Z   20
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  0.875  0.705  0.045  1.0
  Hg  Hg1  1  0.061  0.061  0.061  1.0
  Hg  Hg2  1  0.205  0.455  0.125  1.0
  Hg  Hg3  1  0.811  0.311  0.189  1.0
  Hg  Hg4  1  0.455  0.125  0.205  1.0
  Hg  Hg5  1  0.545  0.625  0.295  1.0
  Hg  Hg6  1  0.189  0.811  0.311  1.0
  Hg  Hg7  1  0.795  0.955  0.375  1.0
  Hg  Hg8  1  0.939  0.561  0.439  1.0
  Hg  Hg9  1  0.125  0.205  0.455  1.0
  Hg  Hg10  1  0.625  0.295  0.545  1.0
  Hg  Hg11  1  0.439  0.939  0.561  1.0
  Hg  Hg12  1  0.295  0.545  0.625  1.0
  Hg  Hg13  1  0.689  0.689  0.689  1.0
  Hg  Hg14  1  0.045  0.875  0.705  1.0
  Hg  Hg15  1  0.955  0.375  0.795  1.0
  Hg  Hg16  1  0.311  0.189  0.811  1.0
  Hg  Hg17  1  0.705  0.045  0.875  1.0
  Hg  Hg18  1  0.561  0.439  0.939  1.0
  Hg  Hg19  1  0.375  0.795  0.955  1.0
[/CIF]
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