The material described by K2CH3O4F crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and two equivalent F(1) atoms. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a linear geometry to one O(4) and one F(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent K(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent K(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to two equivalent K(1), one C(1), and one H(3) atom. F(1) is bonded in a 1-coordinate geometry to four equivalent K(1) and one H(3) atom. is represented by the CIF file [CIF]
data_K2H3CO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.425
_cell_length_b   7.388
_cell_length_c   7.563
_cell_angle_alpha   90.000
_cell_angle_beta   104.497
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.446
_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  0.787  0.997  0.233  1.0
  K  K1  1  0.213  0.497  0.767  1.0
  K  K2  1  0.213  0.003  0.767  1.0
  K  K3  1  0.787  0.503  0.233  1.0
  H  H4  1  0.281  0.250  0.356  1.0
  H  H5  1  0.719  0.750  0.644  1.0
  H  H6  1  0.286  0.250  0.147  1.0
  H  H7  1  0.714  0.750  0.853  1.0
  H  H8  1  0.689  0.250  0.885  1.0
  H  H9  1  0.311  0.750  0.115  1.0
  C  C10  1  0.690  0.250  0.623  1.0
  C  C11  1  0.310  0.750  0.377  1.0
  O  O12  1  0.169  0.250  0.228  1.0
  O  O13  1  0.831  0.750  0.772  1.0
  O  O14  1  0.448  0.250  0.584  1.0
  O  O15  1  0.552  0.750  0.416  1.0
  O  O16  1  0.834  0.250  0.515  1.0
  O  O17  1  0.166  0.750  0.485  1.0
  O  O18  1  0.817  0.250  0.806  1.0
  O  O19  1  0.183  0.750  0.194  1.0
  F  F20  1  0.495  0.750  0.990  1.0
  F  F21  1  0.505  0.250  0.010  1.0
[/CIF]
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The material described by K2CH3O4F crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and two equivalent F(1) atoms. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a linear geometry to one O(4) and one F(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent K(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent K(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to two equivalent K(1), one C(1), and one H(3) atom. F(1) is bonded in a 1-coordinate geometry to four equivalent K(1) and one H(3) atom. is represented by the CIF file [CIF]
data_K2H3CO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.425
_cell_length_b   7.388
_cell_length_c   7.563
_cell_angle_alpha   90.000
_cell_angle_beta   104.497
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.446
_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  0.787  0.997  0.233  1.0
  K  K1  1  0.213  0.497  0.767  1.0
  K  K2  1  0.213  0.003  0.767  1.0
  K  K3  1  0.787  0.503  0.233  1.0
  H  H4  1  0.281  0.250  0.356  1.0
  H  H5  1  0.719  0.750  0.644  1.0
  H  H6  1  0.286  0.250  0.147  1.0
  H  H7  1  0.714  0.750  0.853  1.0
  H  H8  1  0.689  0.250  0.885  1.0
  H  H9  1  0.311  0.750  0.115  1.0
  C  C10  1  0.690  0.250  0.623  1.0
  C  C11  1  0.310  0.750  0.377  1.0
  O  O12  1  0.169  0.250  0.228  1.0
  O  O13  1  0.831  0.750  0.772  1.0
  O  O14  1  0.448  0.250  0.584  1.0
  O  O15  1  0.552  0.750  0.416  1.0
  O  O16  1  0.834  0.250  0.515  1.0
  O  O17  1  0.166  0.750  0.485  1.0
  O  O18  1  0.817  0.250  0.806  1.0
  O  O19  1  0.183  0.750  0.194  1.0
  F  F20  1  0.495  0.750  0.990  1.0
  F  F21  1  0.505  0.250  0.010  1.0
[/CIF]
.