The crystal structure described by KHgOBr3 crystallizes in the orthorhombic Cmc2_1 space group. K(1) is bonded in a 8-coordinate geometry to three equivalent O(1), two equivalent Br(1), and three equivalent Br(2) atoms. Hg(1) is bonded to one Br(1), one Br(2), and two equivalent Br(3) atoms to form corner-sharing HgBr4 tetrahedra. O(1) is bonded in a rectangular see-saw-like geometry to three equivalent K(1) and one Br(1) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Hg(1), and one O(1) atom. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Hg(1) atom. In the third Br site, Br(3) is bonded in a water-like geometry to two equivalent Hg(1) atoms. is represented by the CIF file [CIF]
data_KHgBr3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.247
_cell_length_b   9.247
_cell_length_c   9.608
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   152.336
_symmetry_Int_Tables_number   1
_cell_volume   381.386
_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
  K  K0  1  0.262  0.738  0.856  1.0
  K  K1  1  0.738  0.262  0.356  1.0
  Hg  Hg2  1  0.996  0.004  0.718  1.0
  Hg  Hg3  1  0.004  0.996  0.218  1.0
  Br  Br4  1  0.114  0.886  0.524  1.0
  Br  Br5  1  0.886  0.114  0.024  1.0
  Br  Br6  1  0.858  0.142  0.641  1.0
  Br  Br7  1  0.142  0.858  0.141  1.0
  Br  Br8  1  0.459  0.541  0.368  1.0
  Br  Br9  1  0.541  0.459  0.868  1.0
  O  O10  1  0.211  0.789  0.571  1.0
  O  O11  1  0.789  0.211  0.071  1.0
[/CIF]
.
The crystal structure described by KHgOBr3 crystallizes in the orthorhombic Cmc2_1 space group. K(1) is bonded in a 8-coordinate geometry to three equivalent O(1), two equivalent Br(1), and three equivalent Br(2) atoms. Hg(1) is bonded to one Br(1), one Br(2), and two equivalent Br(3) atoms to form corner-sharing HgBr4 tetrahedra. O(1) is bonded in a rectangular see-saw-like geometry to three equivalent K(1) and one Br(1) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Hg(1), and one O(1) atom. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Hg(1) atom. In the third Br site, Br(3) is bonded in a water-like geometry to two equivalent Hg(1) atoms. is represented by the CIF file [CIF]
data_KHgBr3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.247
_cell_length_b   9.247
_cell_length_c   9.608
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   152.336
_symmetry_Int_Tables_number   1
_cell_volume   381.386
_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
  K  K0  1  0.262  0.738  0.856  1.0
  K  K1  1  0.738  0.262  0.356  1.0
  Hg  Hg2  1  0.996  0.004  0.718  1.0
  Hg  Hg3  1  0.004  0.996  0.218  1.0
  Br  Br4  1  0.114  0.886  0.524  1.0
  Br  Br5  1  0.886  0.114  0.024  1.0
  Br  Br6  1  0.858  0.142  0.641  1.0
  Br  Br7  1  0.142  0.858  0.141  1.0
  Br  Br8  1  0.459  0.541  0.368  1.0
  Br  Br9  1  0.541  0.459  0.868  1.0
  O  O10  1  0.211  0.789  0.571  1.0
  O  O11  1  0.789  0.211  0.071  1.0
[/CIF]
.