The material described by NaHg2O2I crystallizes in the hexagonal P6_222 space group. Na(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. Hg(1) is bonded in a linear geometry to two equivalent O(1) and three equivalent I(1) atoms. O(1) is bonded to two equivalent Na(1) and two equivalent Hg(1) atoms to form a mixture of edge and corner-sharing ONa2Hg2 tetrahedra. I(1) is bonded in a 6-coordinate geometry to six equivalent Hg(1) atoms. is represented by the CIF card [CIF]
data_NaHg2IO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.784
_cell_length_b   6.784
_cell_length_c   10.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   414.440
_cell_formula_units_Z   3
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  0.000  0.167  1.0
  Na  Na1  1  0.000  0.000  0.833  1.0
  Na  Na2  1  0.000  0.000  0.500  1.0
  Hg  Hg3  1  0.500  0.500  0.004  1.0
  Hg  Hg4  1  0.000  0.500  0.337  1.0
  Hg  Hg5  1  0.500  0.000  0.671  1.0
  Hg  Hg6  1  0.000  0.500  0.996  1.0
  Hg  Hg7  1  0.500  0.500  0.663  1.0
  Hg  Hg8  1  0.500  0.000  0.329  1.0
  I  I9  1  0.500  0.000  0.000  1.0
  I  I10  1  0.500  0.500  0.333  1.0
  I  I11  1  0.000  0.500  0.667  1.0
  O  O12  1  0.852  0.704  0.000  1.0
  O  O13  1  0.148  0.852  0.333  1.0
  O  O14  1  0.704  0.852  0.667  1.0
  O  O15  1  0.296  0.148  0.667  1.0
  O  O16  1  0.148  0.296  0.000  1.0
  O  O17  1  0.852  0.148  0.333  1.0
[/CIF]
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The material described by NaHg2O2I crystallizes in the hexagonal P6_222 space group. Na(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. Hg(1) is bonded in a linear geometry to two equivalent O(1) and three equivalent I(1) atoms. O(1) is bonded to two equivalent Na(1) and two equivalent Hg(1) atoms to form a mixture of edge and corner-sharing ONa2Hg2 tetrahedra. I(1) is bonded in a 6-coordinate geometry to six equivalent Hg(1) atoms. is represented by the CIF card [CIF]
data_NaHg2IO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.784
_cell_length_b   6.784
_cell_length_c   10.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   414.440
_cell_formula_units_Z   3
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  0.000  0.167  1.0
  Na  Na1  1  0.000  0.000  0.833  1.0
  Na  Na2  1  0.000  0.000  0.500  1.0
  Hg  Hg3  1  0.500  0.500  0.004  1.0
  Hg  Hg4  1  0.000  0.500  0.337  1.0
  Hg  Hg5  1  0.500  0.000  0.671  1.0
  Hg  Hg6  1  0.000  0.500  0.996  1.0
  Hg  Hg7  1  0.500  0.500  0.663  1.0
  Hg  Hg8  1  0.500  0.000  0.329  1.0
  I  I9  1  0.500  0.000  0.000  1.0
  I  I10  1  0.500  0.500  0.333  1.0
  I  I11  1  0.000  0.500  0.667  1.0
  O  O12  1  0.852  0.704  0.000  1.0
  O  O13  1  0.148  0.852  0.333  1.0
  O  O14  1  0.704  0.852  0.667  1.0
  O  O15  1  0.296  0.148  0.667  1.0
  O  O16  1  0.148  0.296  0.000  1.0
  O  O17  1  0.852  0.148  0.333  1.0
[/CIF]
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