The crystal structure described by K2MoHO3F4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one F(3), two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent H(1), one O(2), one O(3), one F(1), one F(2), one F(3), and one F(4) atom. Mo(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(2), one O(3), one F(1), one F(2), one F(3), and one F(4) atom. H(1) is bonded in a distorted water-like geometry to two equivalent K(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one O(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Mo(1), and one O(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(2) and one Mo(1) atom. There are four inequivalent F sites. In the first F site, F(2) is bonded to one K(2), two equivalent K(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing FK3Mo tetrahedra. In the second F site, F(3) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Mo(1) atom. In the third F site, F(4) is bonded to one K(2), two equivalent K(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing FK3Mo tetrahedra. In the fourth F site, F(1) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_K2MoHO3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.409
_cell_length_b   6.382
_cell_length_c   18.516
_cell_angle_alpha   84.561
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   753.961
_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  0.350  0.748  0.247  1.0
  K  K1  1  0.650  0.252  0.753  1.0
  K  K2  1  0.850  0.252  0.253  1.0
  K  K3  1  0.150  0.748  0.747  1.0
  K  K4  1  0.842  0.698  0.393  1.0
  K  K5  1  0.158  0.302  0.607  1.0
  K  K6  1  0.342  0.302  0.107  1.0
  K  K7  1  0.658  0.698  0.893  1.0
  Mo  Mo8  1  0.835  0.789  0.129  1.0
  Mo  Mo9  1  0.165  0.211  0.871  1.0
  Mo  Mo10  1  0.335  0.211  0.371  1.0
  Mo  Mo11  1  0.665  0.789  0.629  1.0
  H  H12  1  0.321  0.712  0.013  1.0
  H  H13  1  0.679  0.288  0.987  1.0
  H  H14  1  0.821  0.288  0.487  1.0
  H  H15  1  0.179  0.712  0.513  1.0
  O  O16  1  0.418  0.913  0.382  1.0
  O  O17  1  0.582  0.087  0.618  1.0
  O  O18  1  0.918  0.087  0.118  1.0
  O  O19  1  0.082  0.913  0.882  1.0
  O  O20  1  0.402  0.949  0.627  1.0
  O  O21  1  0.598  0.051  0.373  1.0
  O  O22  1  0.902  0.051  0.873  1.0
  O  O23  1  0.098  0.949  0.127  1.0
  O  O24  1  0.814  0.737  0.040  1.0
  O  O25  1  0.186  0.263  0.960  1.0
  O  O26  1  0.314  0.263  0.460  1.0
  O  O27  1  0.686  0.737  0.540  1.0
  F  F28  1  0.826  0.808  0.241  1.0
  F  F29  1  0.174  0.192  0.759  1.0
  F  F30  1  0.326  0.192  0.259  1.0
  F  F31  1  0.674  0.808  0.741  1.0
  F  F32  1  0.642  0.545  0.161  1.0
  F  F33  1  0.358  0.455  0.839  1.0
  F  F34  1  0.142  0.455  0.339  1.0
  F  F35  1  0.858  0.545  0.661  1.0
  F  F36  1  0.560  0.937  0.131  1.0
  F  F37  1  0.440  0.063  0.869  1.0
  F  F38  1  0.060  0.063  0.369  1.0
  F  F39  1  0.940  0.937  0.631  1.0
  F  F40  1  0.547  0.440  0.343  1.0
  F  F41  1  0.453  0.560  0.657  1.0
  F  F42  1  0.047  0.560  0.157  1.0
  F  F43  1  0.953  0.440  0.843  1.0
[/CIF]
.
The crystal structure described by K2MoHO3F4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one F(3), two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent H(1), one O(2), one O(3), one F(1), one F(2), one F(3), and one F(4) atom. Mo(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(2), one O(3), one F(1), one F(2), one F(3), and one F(4) atom. H(1) is bonded in a distorted water-like geometry to two equivalent K(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one O(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Mo(1), and one O(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(2) and one Mo(1) atom. There are four inequivalent F sites. In the first F site, F(2) is bonded to one K(2), two equivalent K(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing FK3Mo tetrahedra. In the second F site, F(3) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Mo(1) atom. In the third F site, F(4) is bonded to one K(2), two equivalent K(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing FK3Mo tetrahedra. In the fourth F site, F(1) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_K2MoHO3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.409
_cell_length_b   6.382
_cell_length_c   18.516
_cell_angle_alpha   84.561
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   753.961
_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  0.350  0.748  0.247  1.0
  K  K1  1  0.650  0.252  0.753  1.0
  K  K2  1  0.850  0.252  0.253  1.0
  K  K3  1  0.150  0.748  0.747  1.0
  K  K4  1  0.842  0.698  0.393  1.0
  K  K5  1  0.158  0.302  0.607  1.0
  K  K6  1  0.342  0.302  0.107  1.0
  K  K7  1  0.658  0.698  0.893  1.0
  Mo  Mo8  1  0.835  0.789  0.129  1.0
  Mo  Mo9  1  0.165  0.211  0.871  1.0
  Mo  Mo10  1  0.335  0.211  0.371  1.0
  Mo  Mo11  1  0.665  0.789  0.629  1.0
  H  H12  1  0.321  0.712  0.013  1.0
  H  H13  1  0.679  0.288  0.987  1.0
  H  H14  1  0.821  0.288  0.487  1.0
  H  H15  1  0.179  0.712  0.513  1.0
  O  O16  1  0.418  0.913  0.382  1.0
  O  O17  1  0.582  0.087  0.618  1.0
  O  O18  1  0.918  0.087  0.118  1.0
  O  O19  1  0.082  0.913  0.882  1.0
  O  O20  1  0.402  0.949  0.627  1.0
  O  O21  1  0.598  0.051  0.373  1.0
  O  O22  1  0.902  0.051  0.873  1.0
  O  O23  1  0.098  0.949  0.127  1.0
  O  O24  1  0.814  0.737  0.040  1.0
  O  O25  1  0.186  0.263  0.960  1.0
  O  O26  1  0.314  0.263  0.460  1.0
  O  O27  1  0.686  0.737  0.540  1.0
  F  F28  1  0.826  0.808  0.241  1.0
  F  F29  1  0.174  0.192  0.759  1.0
  F  F30  1  0.326  0.192  0.259  1.0
  F  F31  1  0.674  0.808  0.741  1.0
  F  F32  1  0.642  0.545  0.161  1.0
  F  F33  1  0.358  0.455  0.839  1.0
  F  F34  1  0.142  0.455  0.339  1.0
  F  F35  1  0.858  0.545  0.661  1.0
  F  F36  1  0.560  0.937  0.131  1.0
  F  F37  1  0.440  0.063  0.869  1.0
  F  F38  1  0.060  0.063  0.369  1.0
  F  F39  1  0.940  0.937  0.631  1.0
  F  F40  1  0.547  0.440  0.343  1.0
  F  F41  1  0.453  0.560  0.657  1.0
  F  F42  1  0.047  0.560  0.157  1.0
  F  F43  1  0.953  0.440  0.843  1.0
[/CIF]
.