The crystal structure described by KI(OF)2 crystallizes in the orthorhombic Pca2_1 space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent I(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one I(1) atom. I(1) is bonded to one O(2), two equivalent O(1), one F(1), and one F(2) atom to form distorted corner-sharing IO3F2 square pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one I(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one I(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KI(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.006
_cell_length_b   8.732
_cell_length_c   8.809
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   461.967
_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  0.482  0.257  0.217  1.0
  K  K1  1  0.482  0.757  0.283  1.0
  K  K2  1  0.518  0.257  0.717  1.0
  K  K3  1  0.518  0.757  0.783  1.0
  I  I4  1  0.047  0.020  0.018  1.0
  I  I5  1  0.953  0.520  0.982  1.0
  I  I6  1  0.047  0.520  0.482  1.0
  I  I7  1  0.953  0.020  0.518  1.0
  O  O8  1  0.990  0.726  0.989  1.0
  O  O9  1  0.178  0.997  0.200  1.0
  O  O10  1  0.178  0.497  0.300  1.0
  O  O11  1  0.990  0.226  0.511  1.0
  O  O12  1  0.010  0.726  0.489  1.0
  O  O13  1  0.822  0.997  0.700  1.0
  O  O14  1  0.822  0.497  0.800  1.0
  O  O15  1  0.010  0.226  0.011  1.0
  F  F16  1  0.638  0.541  0.079  1.0
  F  F17  1  0.740  0.995  0.109  1.0
  F  F18  1  0.740  0.495  0.391  1.0
  F  F19  1  0.638  0.041  0.421  1.0
  F  F20  1  0.362  0.541  0.579  1.0
  F  F21  1  0.260  0.995  0.609  1.0
  F  F22  1  0.260  0.495  0.891  1.0
  F  F23  1  0.362  0.041  0.921  1.0
[/CIF]
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The crystal structure described by KI(OF)2 crystallizes in the orthorhombic Pca2_1 space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent I(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one I(1) atom. I(1) is bonded to one O(2), two equivalent O(1), one F(1), and one F(2) atom to form distorted corner-sharing IO3F2 square pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one I(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one I(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KI(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.006
_cell_length_b   8.732
_cell_length_c   8.809
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   461.967
_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  0.482  0.257  0.217  1.0
  K  K1  1  0.482  0.757  0.283  1.0
  K  K2  1  0.518  0.257  0.717  1.0
  K  K3  1  0.518  0.757  0.783  1.0
  I  I4  1  0.047  0.020  0.018  1.0
  I  I5  1  0.953  0.520  0.982  1.0
  I  I6  1  0.047  0.520  0.482  1.0
  I  I7  1  0.953  0.020  0.518  1.0
  O  O8  1  0.990  0.726  0.989  1.0
  O  O9  1  0.178  0.997  0.200  1.0
  O  O10  1  0.178  0.497  0.300  1.0
  O  O11  1  0.990  0.226  0.511  1.0
  O  O12  1  0.010  0.726  0.489  1.0
  O  O13  1  0.822  0.997  0.700  1.0
  O  O14  1  0.822  0.497  0.800  1.0
  O  O15  1  0.010  0.226  0.011  1.0
  F  F16  1  0.638  0.541  0.079  1.0
  F  F17  1  0.740  0.995  0.109  1.0
  F  F18  1  0.740  0.495  0.391  1.0
  F  F19  1  0.638  0.041  0.421  1.0
  F  F20  1  0.362  0.541  0.579  1.0
  F  F21  1  0.260  0.995  0.609  1.0
  F  F22  1  0.260  0.495  0.891  1.0
  F  F23  1  0.362  0.041  0.921  1.0
[/CIF]
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