The compound described by KNaW(OF2)2 crystallizes in the tetragonal P4/nmm space group. K(1) is bonded to four equivalent O(2) and eight equivalent F(1) atoms to form KO4F8 cuboctahedra that share corners with four equivalent K(1)O4F8 cuboctahedra, faces with four equivalent K(1)O4F8 cuboctahedra, faces with four equivalent Na(1)O2F4 octahedra, and faces with four equivalent W(1)O2F4 octahedra. Na(1) is bonded to one O(1), one O(2), and four equivalent F(1) atoms to form NaO2F4 octahedra that share corners with six equivalent W(1)O2F4 octahedra and faces with four equivalent K(1)O4F8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. W(1) is bonded to one O(1), one O(2), and four equivalent F(1) atoms to form WO2F4 octahedra that share corners with six equivalent Na(1)O2F4 octahedra and faces with four equivalent K(1)O4F8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Na(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent K(1), one Na(1), and one W(1) atom. F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Na(1), and one W(1) atom. is represented by the CIF card [CIF]
data_KNaW(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.170
_cell_length_b   6.170
_cell_length_c   8.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   319.498
_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  0.500  0.500  0.000  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Na  Na2  1  0.000  0.500  0.726  1.0
  Na  Na3  1  0.500  0.000  0.274  1.0
  W  W4  1  0.000  0.500  0.241  1.0
  W  W5  1  0.500  0.000  0.759  1.0
  O  O6  1  0.000  0.500  0.456  1.0
  O  O7  1  0.500  0.000  0.544  1.0
  O  O8  1  0.000  0.500  0.018  1.0
  O  O9  1  0.500  0.000  0.982  1.0
  F  F10  1  0.226  0.274  0.232  1.0
  F  F11  1  0.774  0.274  0.232  1.0
  F  F12  1  0.226  0.726  0.232  1.0
  F  F13  1  0.774  0.726  0.232  1.0
  F  F14  1  0.274  0.226  0.768  1.0
  F  F15  1  0.726  0.226  0.768  1.0
  F  F16  1  0.274  0.774  0.768  1.0
  F  F17  1  0.726  0.774  0.768  1.0
[/CIF]
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The compound described by KNaW(OF2)2 crystallizes in the tetragonal P4/nmm space group. K(1) is bonded to four equivalent O(2) and eight equivalent F(1) atoms to form KO4F8 cuboctahedra that share corners with four equivalent K(1)O4F8 cuboctahedra, faces with four equivalent K(1)O4F8 cuboctahedra, faces with four equivalent Na(1)O2F4 octahedra, and faces with four equivalent W(1)O2F4 octahedra. Na(1) is bonded to one O(1), one O(2), and four equivalent F(1) atoms to form NaO2F4 octahedra that share corners with six equivalent W(1)O2F4 octahedra and faces with four equivalent K(1)O4F8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. W(1) is bonded to one O(1), one O(2), and four equivalent F(1) atoms to form WO2F4 octahedra that share corners with six equivalent Na(1)O2F4 octahedra and faces with four equivalent K(1)O4F8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Na(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent K(1), one Na(1), and one W(1) atom. F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Na(1), and one W(1) atom. is represented by the CIF card [CIF]
data_KNaW(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.170
_cell_length_b   6.170
_cell_length_c   8.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   319.498
_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  0.500  0.500  0.000  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Na  Na2  1  0.000  0.500  0.726  1.0
  Na  Na3  1  0.500  0.000  0.274  1.0
  W  W4  1  0.000  0.500  0.241  1.0
  W  W5  1  0.500  0.000  0.759  1.0
  O  O6  1  0.000  0.500  0.456  1.0
  O  O7  1  0.500  0.000  0.544  1.0
  O  O8  1  0.000  0.500  0.018  1.0
  O  O9  1  0.500  0.000  0.982  1.0
  F  F10  1  0.226  0.274  0.232  1.0
  F  F11  1  0.774  0.274  0.232  1.0
  F  F12  1  0.226  0.726  0.232  1.0
  F  F13  1  0.774  0.726  0.232  1.0
  F  F14  1  0.274  0.226  0.768  1.0
  F  F15  1  0.726  0.226  0.768  1.0
  F  F16  1  0.274  0.774  0.768  1.0
  F  F17  1  0.726  0.774  0.768  1.0
[/CIF]
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