The crystal structure described by KOIBr2 crystallizes in the orthorhombic Pnnm space group. K(1) is bonded in a 2-coordinate geometry to two equivalent O(1), three equivalent Br(1), and three equivalent Br(2) atoms. O(1) is bonded in a distorted linear geometry to two equivalent K(1), one Br(1), and one Br(2) atom. There are two 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 distorted square co-planar geometry to two equivalent Br(1) and two equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 6-coordinate geometry to three equivalent K(1), one O(1), one I(1), and one I(2) atom. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to three equivalent K(1), one O(1), and one I(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KIBr2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.862
_cell_length_b   12.020
_cell_length_c   5.351
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   762.916
_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  0.822  0.217  0.500  1.0
  K  K1  1  0.178  0.783  0.500  1.0
  K  K2  1  0.322  0.283  0.000  1.0
  K  K3  1  0.678  0.717  0.000  1.0
  I  I4  1  0.500  0.500  0.500  1.0
  I  I5  1  0.000  0.000  0.000  1.0
  I  I6  1  0.500  0.000  0.500  1.0
  I  I7  1  0.000  0.500  0.000  1.0
  Br  Br8  1  0.520  0.268  0.500  1.0
  Br  Br9  1  0.480  0.732  0.500  1.0
  Br  Br10  1  0.020  0.232  0.000  1.0
  Br  Br11  1  0.980  0.768  0.000  1.0
  Br  Br12  1  0.723  0.940  0.500  1.0
  Br  Br13  1  0.277  0.060  0.500  1.0
  Br  Br14  1  0.223  0.560  0.000  1.0
  Br  Br15  1  0.777  0.440  0.000  1.0
  O  O16  1  0.805  0.226  0.000  1.0
  O  O17  1  0.195  0.774  0.000  1.0
  O  O18  1  0.305  0.274  0.500  1.0
  O  O19  1  0.695  0.726  0.500  1.0
[/CIF]
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The crystal structure described by KOIBr2 crystallizes in the orthorhombic Pnnm space group. K(1) is bonded in a 2-coordinate geometry to two equivalent O(1), three equivalent Br(1), and three equivalent Br(2) atoms. O(1) is bonded in a distorted linear geometry to two equivalent K(1), one Br(1), and one Br(2) atom. There are two 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 distorted square co-planar geometry to two equivalent Br(1) and two equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 6-coordinate geometry to three equivalent K(1), one O(1), one I(1), and one I(2) atom. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to three equivalent K(1), one O(1), and one I(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KIBr2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.862
_cell_length_b   12.020
_cell_length_c   5.351
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   762.916
_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  0.822  0.217  0.500  1.0
  K  K1  1  0.178  0.783  0.500  1.0
  K  K2  1  0.322  0.283  0.000  1.0
  K  K3  1  0.678  0.717  0.000  1.0
  I  I4  1  0.500  0.500  0.500  1.0
  I  I5  1  0.000  0.000  0.000  1.0
  I  I6  1  0.500  0.000  0.500  1.0
  I  I7  1  0.000  0.500  0.000  1.0
  Br  Br8  1  0.520  0.268  0.500  1.0
  Br  Br9  1  0.480  0.732  0.500  1.0
  Br  Br10  1  0.020  0.232  0.000  1.0
  Br  Br11  1  0.980  0.768  0.000  1.0
  Br  Br12  1  0.723  0.940  0.500  1.0
  Br  Br13  1  0.277  0.060  0.500  1.0
  Br  Br14  1  0.223  0.560  0.000  1.0
  Br  Br15  1  0.777  0.440  0.000  1.0
  O  O16  1  0.805  0.226  0.000  1.0
  O  O17  1  0.195  0.774  0.000  1.0
  O  O18  1  0.305  0.274  0.500  1.0
  O  O19  1  0.695  0.726  0.500  1.0
[/CIF]
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