The structure described by (NH4)2KWO3F3 crystallizes in the orthorhombic Fmm2 space group. The structure consists of eight ammonium molecules inside a KW(OF)3 framework. In the KW(OF)3 framework, K(1) is bonded to one O(2), two equivalent O(1), one F(2), and two equivalent F(1) atoms to form KO3F3 octahedra that share corners with six equivalent W(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. W(1) is bonded to one O(2), two equivalent O(1), one F(2), and two equivalent F(1) atoms to form WO3F3 octahedra that share corners with six equivalent K(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one K(1) and one W(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one K(1) and one W(1) atom. In the second F site, F(2) is bonded in a linear geometry to one K(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KH8WN2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.435
_cell_length_b   6.440
_cell_length_c   6.440
_cell_angle_alpha   88.277
_cell_angle_beta   60.966
_cell_angle_gamma   119.034
_symmetry_Int_Tables_number   1
_cell_volume   191.317
_cell_formula_units_Z   1
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  0.000  0.500  0.500  1.0
  H  H1  1  0.368  0.179  0.442  1.0
  H  H2  1  0.619  0.169  0.194  1.0
  H  H3  1  0.632  0.442  0.179  1.0
  H  H4  1  0.381  0.194  0.169  1.0
  H  H5  1  0.619  0.813  0.550  1.0
  H  H6  1  0.368  0.809  0.811  1.0
  H  H7  1  0.381  0.550  0.813  1.0
  H  H8  1  0.632  0.811  0.809  1.0
  W  W9  1  0.000  0.987  0.987  1.0
  N  N10  1  0.500  0.246  0.246  1.0
  N  N11  1  0.500  0.746  0.746  1.0
  O  O12  1  0.398  0.222  0.825  1.0
  O  O13  1  0.000  0.791  0.791  1.0
  O  O14  1  0.602  0.825  0.222  1.0
  F  F15  1  0.000  0.222  0.777  1.0
  F  F16  1  0.000  0.219  0.219  1.0
  F  F17  1  0.000  0.777  0.222  1.0
[/CIF]
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The structure described by (NH4)2KWO3F3 crystallizes in the orthorhombic Fmm2 space group. The structure consists of eight ammonium molecules inside a KW(OF)3 framework. In the KW(OF)3 framework, K(1) is bonded to one O(2), two equivalent O(1), one F(2), and two equivalent F(1) atoms to form KO3F3 octahedra that share corners with six equivalent W(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. W(1) is bonded to one O(2), two equivalent O(1), one F(2), and two equivalent F(1) atoms to form WO3F3 octahedra that share corners with six equivalent K(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one K(1) and one W(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one K(1) and one W(1) atom. In the second F site, F(2) is bonded in a linear geometry to one K(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KH8WN2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.435
_cell_length_b   6.440
_cell_length_c   6.440
_cell_angle_alpha   88.277
_cell_angle_beta   60.966
_cell_angle_gamma   119.034
_symmetry_Int_Tables_number   1
_cell_volume   191.317
_cell_formula_units_Z   1
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  0.000  0.500  0.500  1.0
  H  H1  1  0.368  0.179  0.442  1.0
  H  H2  1  0.619  0.169  0.194  1.0
  H  H3  1  0.632  0.442  0.179  1.0
  H  H4  1  0.381  0.194  0.169  1.0
  H  H5  1  0.619  0.813  0.550  1.0
  H  H6  1  0.368  0.809  0.811  1.0
  H  H7  1  0.381  0.550  0.813  1.0
  H  H8  1  0.632  0.811  0.809  1.0
  W  W9  1  0.000  0.987  0.987  1.0
  N  N10  1  0.500  0.246  0.246  1.0
  N  N11  1  0.500  0.746  0.746  1.0
  O  O12  1  0.398  0.222  0.825  1.0
  O  O13  1  0.000  0.791  0.791  1.0
  O  O14  1  0.602  0.825  0.222  1.0
  F  F15  1  0.000  0.222  0.777  1.0
  F  F16  1  0.000  0.219  0.219  1.0
  F  F17  1  0.000  0.777  0.222  1.0
[/CIF]
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