The compound described by K2Mo(OF)4 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 8-coordinate geometry to one O(1), one O(3), two equivalent O(4), one F(1), one F(2), one F(3), and one F(4) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. 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. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one K(1), one K(2), one Mo(1), and one O(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to 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(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to two equivalent K(1) atoms. There are four inequivalent F sites. In the first F site, F(2) is bonded to one K(1), two equivalent K(2), and one Mo(1) atom to form a mixture of distorted edge and corner-sharing FK3Mo tetrahedra. In the second F site, F(3) is bonded to one K(1), two equivalent K(2), and one Mo(1) atom to form a mixture of distorted edge and corner-sharing FK3Mo tetrahedra. In the third F site, F(4) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Mo(1) atom. In the fourth F site, F(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), and one Mo(1) atom. is represented by the CIF card [CIF]
data_K2Mo(OF)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.415
_cell_length_b   6.360
_cell_length_c   18.568
_cell_angle_alpha   84.556
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   754.186
_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  0.649  0.690  0.900  1.0
  K  K1  1  0.149  0.310  0.600  1.0
  K  K2  1  0.351  0.310  0.100  1.0
  K  K3  1  0.851  0.690  0.400  1.0
  K  K4  1  0.651  0.252  0.754  1.0
  K  K5  1  0.151  0.748  0.746  1.0
  K  K6  1  0.349  0.748  0.246  1.0
  K  K7  1  0.849  0.252  0.254  1.0
  Mo  Mo8  1  0.667  0.784  0.630  1.0
  Mo  Mo9  1  0.167  0.216  0.870  1.0
  Mo  Mo10  1  0.333  0.216  0.370  1.0
  Mo  Mo11  1  0.833  0.784  0.130  1.0
  O  O12  1  0.401  0.952  0.626  1.0
  O  O13  1  0.901  0.048  0.874  1.0
  O  O14  1  0.599  0.048  0.374  1.0
  O  O15  1  0.099  0.952  0.126  1.0
  O  O16  1  0.575  0.087  0.618  1.0
  O  O17  1  0.075  0.913  0.882  1.0
  O  O18  1  0.425  0.913  0.382  1.0
  O  O19  1  0.925  0.087  0.118  1.0
  O  O20  1  0.681  0.739  0.541  1.0
  O  O21  1  0.181  0.261  0.959  1.0
  O  O22  1  0.319  0.261  0.459  1.0
  O  O23  1  0.819  0.739  0.041  1.0
  O  O24  1  0.660  0.305  0.988  1.0
  O  O25  1  0.160  0.695  0.512  1.0
  O  O26  1  0.340  0.695  0.012  1.0
  O  O27  1  0.840  0.305  0.488  1.0
  F  F28  1  0.668  0.816  0.741  1.0
  F  F29  1  0.168  0.184  0.759  1.0
  F  F30  1  0.332  0.184  0.259  1.0
  F  F31  1  0.832  0.816  0.241  1.0
  F  F32  1  0.857  0.543  0.663  1.0
  F  F33  1  0.357  0.457  0.837  1.0
  F  F34  1  0.143  0.457  0.337  1.0
  F  F35  1  0.643  0.543  0.163  1.0
  F  F36  1  0.456  0.558  0.660  1.0
  F  F37  1  0.956  0.442  0.840  1.0
  F  F38  1  0.544  0.442  0.340  1.0
  F  F39  1  0.044  0.558  0.160  1.0
  F  F40  1  0.938  0.934  0.634  1.0
  F  F41  1  0.438  0.066  0.866  1.0
  F  F42  1  0.062  0.066  0.366  1.0
  F  F43  1  0.562  0.934  0.134  1.0
[/CIF]
.
The compound described by K2Mo(OF)4 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 8-coordinate geometry to one O(1), one O(3), two equivalent O(4), one F(1), one F(2), one F(3), and one F(4) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. 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. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one K(1), one K(2), one Mo(1), and one O(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to 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(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to two equivalent K(1) atoms. There are four inequivalent F sites. In the first F site, F(2) is bonded to one K(1), two equivalent K(2), and one Mo(1) atom to form a mixture of distorted edge and corner-sharing FK3Mo tetrahedra. In the second F site, F(3) is bonded to one K(1), two equivalent K(2), and one Mo(1) atom to form a mixture of distorted edge and corner-sharing FK3Mo tetrahedra. In the third F site, F(4) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Mo(1) atom. In the fourth F site, F(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), and one Mo(1) atom. is represented by the CIF card [CIF]
data_K2Mo(OF)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.415
_cell_length_b   6.360
_cell_length_c   18.568
_cell_angle_alpha   84.556
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   754.186
_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  0.649  0.690  0.900  1.0
  K  K1  1  0.149  0.310  0.600  1.0
  K  K2  1  0.351  0.310  0.100  1.0
  K  K3  1  0.851  0.690  0.400  1.0
  K  K4  1  0.651  0.252  0.754  1.0
  K  K5  1  0.151  0.748  0.746  1.0
  K  K6  1  0.349  0.748  0.246  1.0
  K  K7  1  0.849  0.252  0.254  1.0
  Mo  Mo8  1  0.667  0.784  0.630  1.0
  Mo  Mo9  1  0.167  0.216  0.870  1.0
  Mo  Mo10  1  0.333  0.216  0.370  1.0
  Mo  Mo11  1  0.833  0.784  0.130  1.0
  O  O12  1  0.401  0.952  0.626  1.0
  O  O13  1  0.901  0.048  0.874  1.0
  O  O14  1  0.599  0.048  0.374  1.0
  O  O15  1  0.099  0.952  0.126  1.0
  O  O16  1  0.575  0.087  0.618  1.0
  O  O17  1  0.075  0.913  0.882  1.0
  O  O18  1  0.425  0.913  0.382  1.0
  O  O19  1  0.925  0.087  0.118  1.0
  O  O20  1  0.681  0.739  0.541  1.0
  O  O21  1  0.181  0.261  0.959  1.0
  O  O22  1  0.319  0.261  0.459  1.0
  O  O23  1  0.819  0.739  0.041  1.0
  O  O24  1  0.660  0.305  0.988  1.0
  O  O25  1  0.160  0.695  0.512  1.0
  O  O26  1  0.340  0.695  0.012  1.0
  O  O27  1  0.840  0.305  0.488  1.0
  F  F28  1  0.668  0.816  0.741  1.0
  F  F29  1  0.168  0.184  0.759  1.0
  F  F30  1  0.332  0.184  0.259  1.0
  F  F31  1  0.832  0.816  0.241  1.0
  F  F32  1  0.857  0.543  0.663  1.0
  F  F33  1  0.357  0.457  0.837  1.0
  F  F34  1  0.143  0.457  0.337  1.0
  F  F35  1  0.643  0.543  0.163  1.0
  F  F36  1  0.456  0.558  0.660  1.0
  F  F37  1  0.956  0.442  0.840  1.0
  F  F38  1  0.544  0.442  0.340  1.0
  F  F39  1  0.044  0.558  0.160  1.0
  F  F40  1  0.938  0.934  0.634  1.0
  F  F41  1  0.438  0.066  0.866  1.0
  F  F42  1  0.062  0.066  0.366  1.0
  F  F43  1  0.562  0.934  0.134  1.0
[/CIF]
.