The compound described by K3W2(O2F3)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(2), one F(3), two equivalent F(1), and three equivalent F(2) atoms. In the second K site, K(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent F(1), and four equivalent F(3) atoms. W(1) is bonded to one O(2), two equivalent O(1), one F(1), one F(2), and one F(3) atom to form edge-sharing WO3F3 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one W(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded to one K(2), two equivalent K(1), and one W(1) atom to form a mixture of distorted corner and edge-sharing FK3W tetrahedra. In the second F site, F(2) is bonded to three equivalent K(1) and one W(1) atom to form a mixture of distorted corner and edge-sharing FK3W tetrahedra. In the third F site, F(3) is bonded to one K(1), two equivalent K(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing FK3W tetrahedra. is represented by the CIF file [CIF]
data_K3W2(O2F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.126
_cell_length_b   8.126
_cell_length_c   8.345
_cell_angle_alpha   73.226
_cell_angle_beta   73.226
_cell_angle_gamma   91.742
_symmetry_Int_Tables_number   1
_cell_volume   501.186
_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  0.956  0.748  0.002  1.0
  K  K1  1  0.252  0.044  0.498  1.0
  K  K2  1  0.044  0.252  0.998  1.0
  K  K3  1  0.748  0.956  0.502  1.0
  K  K4  1  0.500  0.500  0.000  1.0
  K  K5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.021  0.431  0.364  1.0
  W  W7  1  0.569  0.979  0.136  1.0
  W  W8  1  0.979  0.569  0.636  1.0
  W  W9  1  0.431  0.021  0.864  1.0
  O  O10  1  0.941  0.339  0.619  1.0
  O  O11  1  0.661  0.059  0.881  1.0
  O  O12  1  0.059  0.661  0.381  1.0
  O  O13  1  0.339  0.941  0.119  1.0
  O  O14  1  0.826  0.446  0.317  1.0
  O  O15  1  0.554  0.174  0.183  1.0
  O  O16  1  0.174  0.554  0.683  1.0
  O  O17  1  0.446  0.826  0.817  1.0
  F  F18  1  0.152  0.506  0.107  1.0
  F  F19  1  0.494  0.848  0.393  1.0
  F  F20  1  0.848  0.494  0.893  1.0
  F  F21  1  0.506  0.152  0.607  1.0
  F  F22  1  0.029  0.190  0.342  1.0
  F  F23  1  0.810  0.971  0.158  1.0
  F  F24  1  0.971  0.810  0.658  1.0
  F  F25  1  0.190  0.029  0.842  1.0
  F  F26  1  0.735  0.610  0.629  1.0
  F  F27  1  0.390  0.265  0.871  1.0
  F  F28  1  0.265  0.390  0.371  1.0
  F  F29  1  0.610  0.735  0.129  1.0
[/CIF]
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The compound described by K3W2(O2F3)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(2), one F(3), two equivalent F(1), and three equivalent F(2) atoms. In the second K site, K(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent F(1), and four equivalent F(3) atoms. W(1) is bonded to one O(2), two equivalent O(1), one F(1), one F(2), and one F(3) atom to form edge-sharing WO3F3 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one W(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded to one K(2), two equivalent K(1), and one W(1) atom to form a mixture of distorted corner and edge-sharing FK3W tetrahedra. In the second F site, F(2) is bonded to three equivalent K(1) and one W(1) atom to form a mixture of distorted corner and edge-sharing FK3W tetrahedra. In the third F site, F(3) is bonded to one K(1), two equivalent K(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing FK3W tetrahedra. is represented by the CIF file [CIF]
data_K3W2(O2F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.126
_cell_length_b   8.126
_cell_length_c   8.345
_cell_angle_alpha   73.226
_cell_angle_beta   73.226
_cell_angle_gamma   91.742
_symmetry_Int_Tables_number   1
_cell_volume   501.186
_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  0.956  0.748  0.002  1.0
  K  K1  1  0.252  0.044  0.498  1.0
  K  K2  1  0.044  0.252  0.998  1.0
  K  K3  1  0.748  0.956  0.502  1.0
  K  K4  1  0.500  0.500  0.000  1.0
  K  K5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.021  0.431  0.364  1.0
  W  W7  1  0.569  0.979  0.136  1.0
  W  W8  1  0.979  0.569  0.636  1.0
  W  W9  1  0.431  0.021  0.864  1.0
  O  O10  1  0.941  0.339  0.619  1.0
  O  O11  1  0.661  0.059  0.881  1.0
  O  O12  1  0.059  0.661  0.381  1.0
  O  O13  1  0.339  0.941  0.119  1.0
  O  O14  1  0.826  0.446  0.317  1.0
  O  O15  1  0.554  0.174  0.183  1.0
  O  O16  1  0.174  0.554  0.683  1.0
  O  O17  1  0.446  0.826  0.817  1.0
  F  F18  1  0.152  0.506  0.107  1.0
  F  F19  1  0.494  0.848  0.393  1.0
  F  F20  1  0.848  0.494  0.893  1.0
  F  F21  1  0.506  0.152  0.607  1.0
  F  F22  1  0.029  0.190  0.342  1.0
  F  F23  1  0.810  0.971  0.158  1.0
  F  F24  1  0.971  0.810  0.658  1.0
  F  F25  1  0.190  0.029  0.842  1.0
  F  F26  1  0.735  0.610  0.629  1.0
  F  F27  1  0.390  0.265  0.871  1.0
  F  F28  1  0.265  0.390  0.371  1.0
  F  F29  1  0.610  0.735  0.129  1.0
[/CIF]
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