The crystal structure described by K3CO3F crystallizes in the trigonal R-3c space group. K(1) is bonded to five equivalent O(1) and two equivalent F(1) atoms to form a mixture of distorted edge, face, and corner-sharing KO5F2 pentagonal bipyramids. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to five equivalent K(1) and one C(1) atom. F(1) is bonded to six equivalent K(1) atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedral tilt angles are 25°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3CO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.021
_cell_length_b   7.021
_cell_length_c   7.021
_cell_angle_alpha   65.346
_cell_angle_beta   65.346
_cell_angle_gamma   65.346
_symmetry_Int_Tables_number   1
_cell_volume   273.170
_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  0.325  0.750  0.175  1.0
  K  K1  1  0.175  0.325  0.750  1.0
  K  K2  1  0.750  0.175  0.325  1.0
  K  K3  1  0.675  0.250  0.825  1.0
  K  K4  1  0.825  0.675  0.250  1.0
  K  K5  1  0.250  0.825  0.675  1.0
  C  C6  1  0.250  0.250  0.250  1.0
  C  C7  1  0.750  0.750  0.750  1.0
  O  O8  1  0.923  0.750  0.577  1.0
  O  O9  1  0.577  0.923  0.750  1.0
  O  O10  1  0.750  0.577  0.923  1.0
  O  O11  1  0.077  0.250  0.423  1.0
  O  O12  1  0.250  0.423  0.077  1.0
  O  O13  1  0.423  0.077  0.250  1.0
  F  F14  1  0.000  0.000  0.000  1.0
  F  F15  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by K3CO3F crystallizes in the trigonal R-3c space group. K(1) is bonded to five equivalent O(1) and two equivalent F(1) atoms to form a mixture of distorted edge, face, and corner-sharing KO5F2 pentagonal bipyramids. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to five equivalent K(1) and one C(1) atom. F(1) is bonded to six equivalent K(1) atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedral tilt angles are 25°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3CO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.021
_cell_length_b   7.021
_cell_length_c   7.021
_cell_angle_alpha   65.346
_cell_angle_beta   65.346
_cell_angle_gamma   65.346
_symmetry_Int_Tables_number   1
_cell_volume   273.170
_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  0.325  0.750  0.175  1.0
  K  K1  1  0.175  0.325  0.750  1.0
  K  K2  1  0.750  0.175  0.325  1.0
  K  K3  1  0.675  0.250  0.825  1.0
  K  K4  1  0.825  0.675  0.250  1.0
  K  K5  1  0.250  0.825  0.675  1.0
  C  C6  1  0.250  0.250  0.250  1.0
  C  C7  1  0.750  0.750  0.750  1.0
  O  O8  1  0.923  0.750  0.577  1.0
  O  O9  1  0.577  0.923  0.750  1.0
  O  O10  1  0.750  0.577  0.923  1.0
  O  O11  1  0.077  0.250  0.423  1.0
  O  O12  1  0.250  0.423  0.077  1.0
  O  O13  1  0.423  0.077  0.250  1.0
  F  F14  1  0.000  0.000  0.000  1.0
  F  F15  1  0.500  0.500  0.500  1.0
[/CIF]
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