The material structure described by K2MoO3F4 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(2), two equivalent O(3), 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 8-coordinate geometry to 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 octahedral geometry to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(1), one K(2), and one Mo(1) atom. In the third O site, O(3) 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(3) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Mo(1) atom. In the second 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 third F site, F(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Mo(1) atom. In the fourth F site, F(2) is bonded to one K(1), two equivalent K(2), and one Mo(1) atom to form distorted corner-sharing FK3Mo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MoO3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.289
_cell_length_b   6.290
_cell_length_c   18.389
_cell_angle_alpha   95.022
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   724.511
_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  0.665  0.697  0.102  1.0
  K  K1  1  0.165  0.303  0.398  1.0
  K  K2  1  0.335  0.303  0.898  1.0
  K  K3  1  0.835  0.697  0.602  1.0
  K  K4  1  0.650  0.247  0.249  1.0
  K  K5  1  0.150  0.753  0.251  1.0
  K  K6  1  0.350  0.753  0.751  1.0
  K  K7  1  0.850  0.247  0.749  1.0
  Mo  Mo8  1  0.655  0.796  0.370  1.0
  Mo  Mo9  1  0.155  0.204  0.130  1.0
  Mo  Mo10  1  0.345  0.204  0.630  1.0
  Mo  Mo11  1  0.845  0.796  0.870  1.0
  O  O12  1  0.676  0.768  0.463  1.0
  O  O13  1  0.176  0.232  0.037  1.0
  O  O14  1  0.324  0.232  0.537  1.0
  O  O15  1  0.824  0.768  0.963  1.0
  O  O16  1  0.468  0.002  0.366  1.0
  O  O17  1  0.968  0.998  0.134  1.0
  O  O18  1  0.532  0.998  0.634  1.0
  O  O19  1  0.032  0.002  0.866  1.0
  O  O20  1  0.676  0.287  0.009  1.0
  O  O21  1  0.176  0.713  0.491  1.0
  O  O22  1  0.324  0.713  0.991  1.0
  O  O23  1  0.824  0.287  0.509  1.0
  F  F24  1  0.681  0.786  0.256  1.0
  F  F25  1  0.181  0.214  0.244  1.0
  F  F26  1  0.319  0.214  0.744  1.0
  F  F27  1  0.819  0.786  0.756  1.0
  F  F28  1  0.869  0.550  0.345  1.0
  F  F29  1  0.369  0.450  0.155  1.0
  F  F30  1  0.131  0.450  0.655  1.0
  F  F31  1  0.631  0.550  0.845  1.0
  F  F32  1  0.445  0.566  0.346  1.0
  F  F33  1  0.945  0.434  0.154  1.0
  F  F34  1  0.555  0.434  0.654  1.0
  F  F35  1  0.055  0.566  0.846  1.0
  F  F36  1  0.908  0.977  0.364  1.0
  F  F37  1  0.408  0.023  0.136  1.0
  F  F38  1  0.092  0.023  0.636  1.0
  F  F39  1  0.592  0.977  0.864  1.0
[/CIF]
.
The material structure described by K2MoO3F4 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(2), two equivalent O(3), 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 8-coordinate geometry to 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 octahedral geometry to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(1), one K(2), and one Mo(1) atom. In the third O site, O(3) 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(3) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Mo(1) atom. In the second 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 third F site, F(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Mo(1) atom. In the fourth F site, F(2) is bonded to one K(1), two equivalent K(2), and one Mo(1) atom to form distorted corner-sharing FK3Mo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MoO3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.289
_cell_length_b   6.290
_cell_length_c   18.389
_cell_angle_alpha   95.022
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   724.511
_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  0.665  0.697  0.102  1.0
  K  K1  1  0.165  0.303  0.398  1.0
  K  K2  1  0.335  0.303  0.898  1.0
  K  K3  1  0.835  0.697  0.602  1.0
  K  K4  1  0.650  0.247  0.249  1.0
  K  K5  1  0.150  0.753  0.251  1.0
  K  K6  1  0.350  0.753  0.751  1.0
  K  K7  1  0.850  0.247  0.749  1.0
  Mo  Mo8  1  0.655  0.796  0.370  1.0
  Mo  Mo9  1  0.155  0.204  0.130  1.0
  Mo  Mo10  1  0.345  0.204  0.630  1.0
  Mo  Mo11  1  0.845  0.796  0.870  1.0
  O  O12  1  0.676  0.768  0.463  1.0
  O  O13  1  0.176  0.232  0.037  1.0
  O  O14  1  0.324  0.232  0.537  1.0
  O  O15  1  0.824  0.768  0.963  1.0
  O  O16  1  0.468  0.002  0.366  1.0
  O  O17  1  0.968  0.998  0.134  1.0
  O  O18  1  0.532  0.998  0.634  1.0
  O  O19  1  0.032  0.002  0.866  1.0
  O  O20  1  0.676  0.287  0.009  1.0
  O  O21  1  0.176  0.713  0.491  1.0
  O  O22  1  0.324  0.713  0.991  1.0
  O  O23  1  0.824  0.287  0.509  1.0
  F  F24  1  0.681  0.786  0.256  1.0
  F  F25  1  0.181  0.214  0.244  1.0
  F  F26  1  0.319  0.214  0.744  1.0
  F  F27  1  0.819  0.786  0.756  1.0
  F  F28  1  0.869  0.550  0.345  1.0
  F  F29  1  0.369  0.450  0.155  1.0
  F  F30  1  0.131  0.450  0.655  1.0
  F  F31  1  0.631  0.550  0.845  1.0
  F  F32  1  0.445  0.566  0.346  1.0
  F  F33  1  0.945  0.434  0.154  1.0
  F  F34  1  0.555  0.434  0.654  1.0
  F  F35  1  0.055  0.566  0.846  1.0
  F  F36  1  0.908  0.977  0.364  1.0
  F  F37  1  0.408  0.023  0.136  1.0
  F  F38  1  0.092  0.023  0.636  1.0
  F  F39  1  0.592  0.977  0.864  1.0
[/CIF]
.