The material described by XeKO3F crystallizes in the orthorhombic Pna2_1 space group. Xe(1) is bonded to one O(1), one O(2), one O(3), and two equivalent F(1) atoms to form distorted corner-sharing XeO3F2 square pyramids. K(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), three equivalent O(3), and two equivalent F(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Xe(1) and two equivalent K(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Xe(1) and one K(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Xe(1) and three equivalent K(1) atoms. F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Xe(1) and two equivalent K(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KXeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.973
_cell_length_b   7.625
_cell_length_c   8.462
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.844
_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  0.216  0.876  0.647  1.0
  K  K1  1  0.716  0.624  0.147  1.0
  K  K2  1  0.216  0.376  0.853  1.0
  K  K3  1  0.716  0.124  0.353  1.0
  Xe  Xe4  1  0.250  0.408  0.349  1.0
  Xe  Xe5  1  0.750  0.092  0.849  1.0
  Xe  Xe6  1  0.750  0.592  0.651  1.0
  Xe  Xe7  1  0.250  0.908  0.151  1.0
  O  O8  1  0.499  0.103  0.764  1.0
  O  O9  1  0.766  0.296  0.975  1.0
  O  O10  1  0.885  0.679  0.832  1.0
  O  O11  1  0.885  0.179  0.668  1.0
  O  O12  1  0.266  0.704  0.025  1.0
  O  O13  1  0.999  0.897  0.236  1.0
  O  O14  1  0.385  0.821  0.332  1.0
  O  O15  1  0.499  0.603  0.736  1.0
  O  O16  1  0.999  0.397  0.264  1.0
  O  O17  1  0.266  0.204  0.475  1.0
  O  O18  1  0.385  0.321  0.168  1.0
  O  O19  1  0.766  0.796  0.525  1.0
  F  F20  1  0.596  0.458  0.429  1.0
  F  F21  1  0.096  0.542  0.571  1.0
  F  F22  1  0.596  0.958  0.071  1.0
  F  F23  1  0.096  0.042  0.929  1.0
[/CIF]
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The material described by XeKO3F crystallizes in the orthorhombic Pna2_1 space group. Xe(1) is bonded to one O(1), one O(2), one O(3), and two equivalent F(1) atoms to form distorted corner-sharing XeO3F2 square pyramids. K(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), three equivalent O(3), and two equivalent F(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Xe(1) and two equivalent K(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Xe(1) and one K(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Xe(1) and three equivalent K(1) atoms. F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Xe(1) and two equivalent K(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KXeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.973
_cell_length_b   7.625
_cell_length_c   8.462
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.844
_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  0.216  0.876  0.647  1.0
  K  K1  1  0.716  0.624  0.147  1.0
  K  K2  1  0.216  0.376  0.853  1.0
  K  K3  1  0.716  0.124  0.353  1.0
  Xe  Xe4  1  0.250  0.408  0.349  1.0
  Xe  Xe5  1  0.750  0.092  0.849  1.0
  Xe  Xe6  1  0.750  0.592  0.651  1.0
  Xe  Xe7  1  0.250  0.908  0.151  1.0
  O  O8  1  0.499  0.103  0.764  1.0
  O  O9  1  0.766  0.296  0.975  1.0
  O  O10  1  0.885  0.679  0.832  1.0
  O  O11  1  0.885  0.179  0.668  1.0
  O  O12  1  0.266  0.704  0.025  1.0
  O  O13  1  0.999  0.897  0.236  1.0
  O  O14  1  0.385  0.821  0.332  1.0
  O  O15  1  0.499  0.603  0.736  1.0
  O  O16  1  0.999  0.397  0.264  1.0
  O  O17  1  0.266  0.204  0.475  1.0
  O  O18  1  0.385  0.321  0.168  1.0
  O  O19  1  0.766  0.796  0.525  1.0
  F  F20  1  0.596  0.458  0.429  1.0
  F  F21  1  0.096  0.542  0.571  1.0
  F  F22  1  0.596  0.958  0.071  1.0
  F  F23  1  0.096  0.042  0.929  1.0
[/CIF]
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