The crystal structure described by KOIBr2 crystallizes in the monoclinic P2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 2-coordinate geometry to two equivalent O(1), one Br(3), and two equivalent Br(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent O(2), one Br(2), two equivalent Br(1), and two equivalent Br(3) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent K(1) and one Br(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent K(2), one Br(1), and one Br(3) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a linear geometry to two equivalent Br(1) atoms. In the second I site, I(2) is bonded in a linear geometry to two equivalent Br(2) atoms. In the third I site, I(3) is bonded in a linear geometry to two equivalent Br(3) atoms. In the fourth I site, I(4) is bonded in a linear geometry to two equivalent Br(4) atoms. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent K(2), one O(2), and one I(1) atom. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one K(2), two equivalent K(1), and one I(2) atom. In the third Br site, Br(3) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one O(2), and one I(3) atom. In the fourth Br site, Br(4) is bonded in a distorted single-bond geometry to one O(1) and one I(4) atom. is represented by the CIF file [CIF]
data_KIBr2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.179
_cell_length_b   11.859
_cell_length_c   12.887
_cell_angle_alpha   85.718
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   789.244
_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
  K  K0  1  0.500  0.168  0.705  1.0
  K  K1  1  0.500  0.832  0.295  1.0
  K  K2  1  0.000  0.674  0.757  1.0
  K  K3  1  0.000  0.326  0.243  1.0
  I  I4  1  0.500  0.500  0.000  1.0
  I  I5  1  0.000  0.000  0.500  1.0
  I  I6  1  0.500  0.500  0.500  1.0
  I  I7  1  0.000  0.000  0.000  1.0
  Br  Br8  1  0.500  0.481  0.791  1.0
  Br  Br9  1  0.500  0.519  0.209  1.0
  Br  Br10  1  0.000  0.959  0.713  1.0
  Br  Br11  1  0.000  0.041  0.287  1.0
  Br  Br12  1  0.500  0.291  0.426  1.0
  Br  Br13  1  0.500  0.709  0.574  1.0
  Br  Br14  1  0.000  0.773  0.103  1.0
  Br  Br15  1  0.000  0.227  0.897  1.0
  O  O16  1  0.000  0.236  0.761  1.0
  O  O17  1  0.000  0.764  0.239  1.0
  O  O18  1  0.500  0.700  0.775  1.0
  O  O19  1  0.500  0.300  0.225  1.0
[/CIF]
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The crystal structure described by KOIBr2 crystallizes in the monoclinic P2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 2-coordinate geometry to two equivalent O(1), one Br(3), and two equivalent Br(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent O(2), one Br(2), two equivalent Br(1), and two equivalent Br(3) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent K(1) and one Br(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent K(2), one Br(1), and one Br(3) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a linear geometry to two equivalent Br(1) atoms. In the second I site, I(2) is bonded in a linear geometry to two equivalent Br(2) atoms. In the third I site, I(3) is bonded in a linear geometry to two equivalent Br(3) atoms. In the fourth I site, I(4) is bonded in a linear geometry to two equivalent Br(4) atoms. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent K(2), one O(2), and one I(1) atom. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one K(2), two equivalent K(1), and one I(2) atom. In the third Br site, Br(3) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one O(2), and one I(3) atom. In the fourth Br site, Br(4) is bonded in a distorted single-bond geometry to one O(1) and one I(4) atom. is represented by the CIF file [CIF]
data_KIBr2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.179
_cell_length_b   11.859
_cell_length_c   12.887
_cell_angle_alpha   85.718
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   789.244
_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
  K  K0  1  0.500  0.168  0.705  1.0
  K  K1  1  0.500  0.832  0.295  1.0
  K  K2  1  0.000  0.674  0.757  1.0
  K  K3  1  0.000  0.326  0.243  1.0
  I  I4  1  0.500  0.500  0.000  1.0
  I  I5  1  0.000  0.000  0.500  1.0
  I  I6  1  0.500  0.500  0.500  1.0
  I  I7  1  0.000  0.000  0.000  1.0
  Br  Br8  1  0.500  0.481  0.791  1.0
  Br  Br9  1  0.500  0.519  0.209  1.0
  Br  Br10  1  0.000  0.959  0.713  1.0
  Br  Br11  1  0.000  0.041  0.287  1.0
  Br  Br12  1  0.500  0.291  0.426  1.0
  Br  Br13  1  0.500  0.709  0.574  1.0
  Br  Br14  1  0.000  0.773  0.103  1.0
  Br  Br15  1  0.000  0.227  0.897  1.0
  O  O16  1  0.000  0.236  0.761  1.0
  O  O17  1  0.000  0.764  0.239  1.0
  O  O18  1  0.500  0.700  0.775  1.0
  O  O19  1  0.500  0.300  0.225  1.0
[/CIF]
.