The material described by (NH4)2KWO3F3 crystallizes in the monoclinic Pc space group. K(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form distorted KO3F3 octahedra that share corners with six equivalent W(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 20-29°. W(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form WO3F3 octahedra that share corners with six equivalent K(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 20-29°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a tetrahedral geometry to one H(1), one H(3), one H(5), and one H(7) atom. In the second N site, N(2) is bonded in a tetrahedral geometry to one H(2), one H(4), one H(6), and one H(8) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one N(1) and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) and one F(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one W(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one W(1), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one W(1), and one H(3) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a bent 150 degrees geometry to one K(1) and one W(1) atom. In the second F site, F(3) is bonded in a 3-coordinate geometry to one K(1), one W(1), and one H(4) atom. In the third F site, F(1) is bonded in a bent 150 degrees geometry to one K(1) and one W(1) atom. is represented by the CIF card [CIF]
data_KH8WN2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.349
_cell_length_b   6.447
_cell_length_c   11.328
_cell_angle_alpha   56.206
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.316
_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  0.258  0.502  0.500  1.0
  K  K1  1  0.742  0.502  0.000  1.0
  H  H2  1  0.564  0.775  0.219  1.0
  H  H3  1  0.436  0.775  0.719  1.0
  H  H4  1  0.926  0.243  0.779  1.0
  H  H5  1  0.074  0.243  0.279  1.0
  H  H6  1  0.819  0.788  0.152  1.0
  H  H7  1  0.181  0.788  0.652  1.0
  H  H8  1  0.669  0.222  0.842  1.0
  H  H9  1  0.331  0.222  0.342  1.0
  H  H10  1  0.783  0.805  0.296  1.0
  H  H11  1  0.217  0.805  0.796  1.0
  H  H12  1  0.723  0.133  0.728  1.0
  H  H13  1  0.277  0.133  0.228  1.0
  H  H14  1  0.746  0.533  0.304  1.0
  H  H15  1  0.254  0.533  0.804  1.0
  H  H16  1  0.732  0.438  0.672  1.0
  H  H17  1  0.268  0.438  0.172  1.0
  W  W18  1  0.778  0.993  0.504  1.0
  W  W19  1  0.222  0.993  0.004  1.0
  N  N20  1  0.729  0.727  0.243  1.0
  N  N21  1  0.271  0.727  0.743  1.0
  N  N22  1  0.761  0.257  0.756  1.0
  N  N23  1  0.239  0.257  0.256  1.0
  O  O24  1  0.687  0.830  0.693  1.0
  O  O25  1  0.313  0.830  0.193  1.0
  O  O26  1  0.805  0.236  0.309  1.0
  O  O27  1  0.195  0.236  0.809  1.0
  O  O28  1  0.007  0.811  0.525  1.0
  O  O29  1  0.993  0.811  0.025  1.0
  F  F30  1  0.930  0.231  0.535  1.0
  F  F31  1  0.070  0.231  0.035  1.0
  F  F32  1  0.589  0.777  0.473  1.0
  F  F33  1  0.411  0.777  0.973  1.0
  F  F34  1  0.490  0.199  0.470  1.0
  F  F35  1  0.510  0.199  0.970  1.0
[/CIF]
.
The material described by (NH4)2KWO3F3 crystallizes in the monoclinic Pc space group. K(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form distorted KO3F3 octahedra that share corners with six equivalent W(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 20-29°. W(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form WO3F3 octahedra that share corners with six equivalent K(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 20-29°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a tetrahedral geometry to one H(1), one H(3), one H(5), and one H(7) atom. In the second N site, N(2) is bonded in a tetrahedral geometry to one H(2), one H(4), one H(6), and one H(8) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one N(1) and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) and one F(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one W(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one W(1), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one W(1), and one H(3) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a bent 150 degrees geometry to one K(1) and one W(1) atom. In the second F site, F(3) is bonded in a 3-coordinate geometry to one K(1), one W(1), and one H(4) atom. In the third F site, F(1) is bonded in a bent 150 degrees geometry to one K(1) and one W(1) atom. is represented by the CIF card [CIF]
data_KH8WN2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.349
_cell_length_b   6.447
_cell_length_c   11.328
_cell_angle_alpha   56.206
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.316
_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  0.258  0.502  0.500  1.0
  K  K1  1  0.742  0.502  0.000  1.0
  H  H2  1  0.564  0.775  0.219  1.0
  H  H3  1  0.436  0.775  0.719  1.0
  H  H4  1  0.926  0.243  0.779  1.0
  H  H5  1  0.074  0.243  0.279  1.0
  H  H6  1  0.819  0.788  0.152  1.0
  H  H7  1  0.181  0.788  0.652  1.0
  H  H8  1  0.669  0.222  0.842  1.0
  H  H9  1  0.331  0.222  0.342  1.0
  H  H10  1  0.783  0.805  0.296  1.0
  H  H11  1  0.217  0.805  0.796  1.0
  H  H12  1  0.723  0.133  0.728  1.0
  H  H13  1  0.277  0.133  0.228  1.0
  H  H14  1  0.746  0.533  0.304  1.0
  H  H15  1  0.254  0.533  0.804  1.0
  H  H16  1  0.732  0.438  0.672  1.0
  H  H17  1  0.268  0.438  0.172  1.0
  W  W18  1  0.778  0.993  0.504  1.0
  W  W19  1  0.222  0.993  0.004  1.0
  N  N20  1  0.729  0.727  0.243  1.0
  N  N21  1  0.271  0.727  0.743  1.0
  N  N22  1  0.761  0.257  0.756  1.0
  N  N23  1  0.239  0.257  0.256  1.0
  O  O24  1  0.687  0.830  0.693  1.0
  O  O25  1  0.313  0.830  0.193  1.0
  O  O26  1  0.805  0.236  0.309  1.0
  O  O27  1  0.195  0.236  0.809  1.0
  O  O28  1  0.007  0.811  0.525  1.0
  O  O29  1  0.993  0.811  0.025  1.0
  F  F30  1  0.930  0.231  0.535  1.0
  F  F31  1  0.070  0.231  0.035  1.0
  F  F32  1  0.589  0.777  0.473  1.0
  F  F33  1  0.411  0.777  0.973  1.0
  F  F34  1  0.490  0.199  0.470  1.0
  F  F35  1  0.510  0.199  0.970  1.0
[/CIF]
.