The material structure described by HgO3Br is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight HgO3Br clusters. Hg(1) is bonded in a distorted single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Br(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Br(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Hg(1) and one Br(1) atom. Br(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HgBrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.764
_cell_length_b   9.764
_cell_length_c   8.599
_cell_angle_alpha   72.998
_cell_angle_beta   72.998
_cell_angle_gamma   26.627
_symmetry_Int_Tables_number   1
_cell_volume   350.445
_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
  Hg  Hg0  1  0.045  0.086  0.510  1.0
  Hg  Hg1  1  0.914  0.955  0.990  1.0
  Hg  Hg2  1  0.955  0.914  0.490  1.0
  Hg  Hg3  1  0.086  0.045  0.010  1.0
  Br  Br4  1  0.625  0.725  0.158  1.0
  Br  Br5  1  0.275  0.375  0.342  1.0
  Br  Br6  1  0.375  0.275  0.842  1.0
  Br  Br7  1  0.725  0.625  0.658  1.0
  O  O8  1  0.665  0.513  0.202  1.0
  O  O9  1  0.487  0.335  0.298  1.0
  O  O10  1  0.335  0.487  0.798  1.0
  O  O11  1  0.513  0.665  0.702  1.0
  O  O12  1  0.471  0.889  0.328  1.0
  O  O13  1  0.111  0.529  0.172  1.0
  O  O14  1  0.529  0.111  0.672  1.0
  O  O15  1  0.889  0.471  0.828  1.0
  O  O16  1  0.025  0.323  0.536  1.0
  O  O17  1  0.677  0.975  0.964  1.0
  O  O18  1  0.975  0.677  0.464  1.0
  O  O19  1  0.323  0.025  0.036  1.0
[/CIF]
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The material structure described by HgO3Br is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight HgO3Br clusters. Hg(1) is bonded in a distorted single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Br(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Br(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Hg(1) and one Br(1) atom. Br(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HgBrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.764
_cell_length_b   9.764
_cell_length_c   8.599
_cell_angle_alpha   72.998
_cell_angle_beta   72.998
_cell_angle_gamma   26.627
_symmetry_Int_Tables_number   1
_cell_volume   350.445
_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
  Hg  Hg0  1  0.045  0.086  0.510  1.0
  Hg  Hg1  1  0.914  0.955  0.990  1.0
  Hg  Hg2  1  0.955  0.914  0.490  1.0
  Hg  Hg3  1  0.086  0.045  0.010  1.0
  Br  Br4  1  0.625  0.725  0.158  1.0
  Br  Br5  1  0.275  0.375  0.342  1.0
  Br  Br6  1  0.375  0.275  0.842  1.0
  Br  Br7  1  0.725  0.625  0.658  1.0
  O  O8  1  0.665  0.513  0.202  1.0
  O  O9  1  0.487  0.335  0.298  1.0
  O  O10  1  0.335  0.487  0.798  1.0
  O  O11  1  0.513  0.665  0.702  1.0
  O  O12  1  0.471  0.889  0.328  1.0
  O  O13  1  0.111  0.529  0.172  1.0
  O  O14  1  0.529  0.111  0.672  1.0
  O  O15  1  0.889  0.471  0.828  1.0
  O  O16  1  0.025  0.323  0.536  1.0
  O  O17  1  0.677  0.975  0.964  1.0
  O  O18  1  0.975  0.677  0.464  1.0
  O  O19  1  0.323  0.025  0.036  1.0
[/CIF]
.