The structure described by K2MoO2F5 crystallizes in the monoclinic C2/m 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), two equivalent O(2), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and four equivalent F(4) atoms. Mo(1) is bonded in an octahedral geometry to one O(1), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. There are two 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 water-like geometry to two equivalent K(1) atoms. There are four inequivalent F sites. In the first 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 second F site, F(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one Mo(1) atom. In the third F site, F(3) is bonded to one K(1), two equivalent K(2), and one Mo(1) atom to form distorted edge-sharing FK3Mo tetrahedra. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Mo(1) atom. is represented by the CIF card [CIF]
data_K2MoO2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.333
_cell_length_b   6.333
_cell_length_c   9.613
_cell_angle_alpha   84.798
_cell_angle_beta   84.798
_cell_angle_gamma   90.079
_symmetry_Int_Tables_number   1
_cell_volume   382.291
_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  0.702  0.702  0.799  1.0
  K  K1  1  0.298  0.298  0.201  1.0
  K  K2  1  0.756  0.244  0.500  1.0
  K  K3  1  0.244  0.756  0.500  1.0
  Mo  Mo4  1  0.219  0.219  0.736  1.0
  Mo  Mo5  1  0.781  0.781  0.264  1.0
  O  O6  1  0.214  0.214  0.916  1.0
  O  O7  1  0.786  0.786  0.084  1.0
  O  O8  1  0.697  0.303  0.000  1.0
  O  O9  1  0.303  0.697  0.000  1.0
  F  F10  1  0.999  0.999  0.725  1.0
  F  F11  1  0.001  0.001  0.275  1.0
  F  F12  1  0.227  0.227  0.519  1.0
  F  F13  1  0.773  0.773  0.481  1.0
  F  F14  1  0.443  0.443  0.686  1.0
  F  F15  1  0.557  0.557  0.314  1.0
  F  F16  1  0.004  0.443  0.705  1.0
  F  F17  1  0.443  0.004  0.705  1.0
  F  F18  1  0.996  0.557  0.295  1.0
  F  F19  1  0.557  0.996  0.295  1.0
[/CIF]
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The structure described by K2MoO2F5 crystallizes in the monoclinic C2/m 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), two equivalent O(2), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and four equivalent F(4) atoms. Mo(1) is bonded in an octahedral geometry to one O(1), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. There are two 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 water-like geometry to two equivalent K(1) atoms. There are four inequivalent F sites. In the first 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 second F site, F(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one Mo(1) atom. In the third F site, F(3) is bonded to one K(1), two equivalent K(2), and one Mo(1) atom to form distorted edge-sharing FK3Mo tetrahedra. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Mo(1) atom. is represented by the CIF card [CIF]
data_K2MoO2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.333
_cell_length_b   6.333
_cell_length_c   9.613
_cell_angle_alpha   84.798
_cell_angle_beta   84.798
_cell_angle_gamma   90.079
_symmetry_Int_Tables_number   1
_cell_volume   382.291
_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  0.702  0.702  0.799  1.0
  K  K1  1  0.298  0.298  0.201  1.0
  K  K2  1  0.756  0.244  0.500  1.0
  K  K3  1  0.244  0.756  0.500  1.0
  Mo  Mo4  1  0.219  0.219  0.736  1.0
  Mo  Mo5  1  0.781  0.781  0.264  1.0
  O  O6  1  0.214  0.214  0.916  1.0
  O  O7  1  0.786  0.786  0.084  1.0
  O  O8  1  0.697  0.303  0.000  1.0
  O  O9  1  0.303  0.697  0.000  1.0
  F  F10  1  0.999  0.999  0.725  1.0
  F  F11  1  0.001  0.001  0.275  1.0
  F  F12  1  0.227  0.227  0.519  1.0
  F  F13  1  0.773  0.773  0.481  1.0
  F  F14  1  0.443  0.443  0.686  1.0
  F  F15  1  0.557  0.557  0.314  1.0
  F  F16  1  0.004  0.443  0.705  1.0
  F  F17  1  0.443  0.004  0.705  1.0
  F  F18  1  0.996  0.557  0.295  1.0
  F  F19  1  0.557  0.996  0.295  1.0
[/CIF]
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