The material described by Hg5(O2Cl)2 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to two equivalent O(1) and three equivalent Cl(1) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent O(1) atoms. In the third Hg site, Hg(3) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Hg(3) atom. Cl(1) is bonded in a distorted T-shaped geometry to three equivalent Hg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg5(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.872
_cell_length_b   8.871
_cell_length_c   8.871
_cell_angle_alpha   139.305
_cell_angle_beta   97.092
_cell_angle_gamma   96.797
_symmetry_Int_Tables_number   1
_cell_volume   426.827
_cell_formula_units_Z   2
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  0.859  0.787  0.645  1.0
  Hg  Hg1  1  0.641  0.287  0.928  1.0
  Hg  Hg2  1  0.359  0.713  0.072  1.0
  Hg  Hg3  1  0.141  0.213  0.355  1.0
  Hg  Hg4  1  0.591  0.250  0.341  1.0
  Hg  Hg5  1  0.909  0.250  0.659  1.0
  Hg  Hg6  1  0.409  0.750  0.659  1.0
  Hg  Hg7  1  0.091  0.750  0.341  1.0
  Hg  Hg8  1  0.250  0.250  1.000  1.0
  Hg  Hg9  1  0.750  0.750  0.000  1.0
  Cl  Cl10  1  0.393  0.228  0.621  1.0
  Cl  Cl11  1  0.107  0.728  0.835  1.0
  Cl  Cl12  1  0.893  0.272  0.165  1.0
  Cl  Cl13  1  0.607  0.772  0.379  1.0
  O  O14  1  0.177  0.522  0.052  1.0
  O  O15  1  0.323  0.375  0.345  1.0
  O  O16  1  0.470  0.125  0.948  1.0
  O  O17  1  0.030  0.978  0.655  1.0
  O  O18  1  0.970  0.022  0.345  1.0
  O  O19  1  0.530  0.875  0.052  1.0
  O  O20  1  0.823  0.478  0.948  1.0
  O  O21  1  0.677  0.625  0.655  1.0
[/CIF]
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The material described by Hg5(O2Cl)2 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to two equivalent O(1) and three equivalent Cl(1) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent O(1) atoms. In the third Hg site, Hg(3) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Hg(3) atom. Cl(1) is bonded in a distorted T-shaped geometry to three equivalent Hg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg5(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.872
_cell_length_b   8.871
_cell_length_c   8.871
_cell_angle_alpha   139.305
_cell_angle_beta   97.092
_cell_angle_gamma   96.797
_symmetry_Int_Tables_number   1
_cell_volume   426.827
_cell_formula_units_Z   2
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  0.859  0.787  0.645  1.0
  Hg  Hg1  1  0.641  0.287  0.928  1.0
  Hg  Hg2  1  0.359  0.713  0.072  1.0
  Hg  Hg3  1  0.141  0.213  0.355  1.0
  Hg  Hg4  1  0.591  0.250  0.341  1.0
  Hg  Hg5  1  0.909  0.250  0.659  1.0
  Hg  Hg6  1  0.409  0.750  0.659  1.0
  Hg  Hg7  1  0.091  0.750  0.341  1.0
  Hg  Hg8  1  0.250  0.250  1.000  1.0
  Hg  Hg9  1  0.750  0.750  0.000  1.0
  Cl  Cl10  1  0.393  0.228  0.621  1.0
  Cl  Cl11  1  0.107  0.728  0.835  1.0
  Cl  Cl12  1  0.893  0.272  0.165  1.0
  Cl  Cl13  1  0.607  0.772  0.379  1.0
  O  O14  1  0.177  0.522  0.052  1.0
  O  O15  1  0.323  0.375  0.345  1.0
  O  O16  1  0.470  0.125  0.948  1.0
  O  O17  1  0.030  0.978  0.655  1.0
  O  O18  1  0.970  0.022  0.345  1.0
  O  O19  1  0.530  0.875  0.052  1.0
  O  O20  1  0.823  0.478  0.948  1.0
  O  O21  1  0.677  0.625  0.655  1.0
[/CIF]
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