The compound described by KWH8(NF3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form KF6 octahedra that share corners with six equivalent W(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 25-35°. W(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form WF6 octahedra that share corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 25-35°. N(1) is bonded in a tetrahedral geometry to one H(1), one H(2), one H(3), and one H(4) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) and one F(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) and one F(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(1) atom. There are three inequivalent F sites. In the first F site, F(3) is bonded in a 3-coordinate geometry to one K(1), one W(1), and one H(3) atom. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and one W(1) atom. In the third F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one W(1), and one H(2) atom. is represented by the CIF file [CIF]
data_KH8W(NF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.447
_cell_length_b   6.487
_cell_length_c   11.463
_cell_angle_alpha   56.112
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   397.968
_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  0.500  0.500  1.0
  H  H2  1  0.029  0.578  0.769  1.0
  H  H3  1  0.971  0.422  0.231  1.0
  H  H4  1  0.529  0.422  0.731  1.0
  H  H5  1  0.471  0.578  0.269  1.0
  H  H6  1  0.039  0.736  0.847  1.0
  H  H7  1  0.961  0.264  0.153  1.0
  H  H8  1  0.539  0.264  0.653  1.0
  H  H9  1  0.461  0.736  0.347  1.0
  H  H10  1  0.071  0.891  0.669  1.0
  H  H11  1  0.929  0.109  0.331  1.0
  H  H12  1  0.571  0.109  0.831  1.0
  H  H13  1  0.429  0.891  0.169  1.0
  H  H14  1  0.833  0.766  0.743  1.0
  H  H15  1  0.167  0.234  0.257  1.0
  H  H16  1  0.333  0.234  0.757  1.0
  H  H17  1  0.667  0.766  0.243  1.0
  W  W18  1  0.500  0.000  0.500  1.0
  W  W19  1  0.000  0.000  0.000  1.0
  N  N20  1  0.992  0.744  0.757  1.0
  N  N21  1  0.008  0.256  0.243  1.0
  N  N22  1  0.492  0.256  0.743  1.0
  N  N23  1  0.508  0.744  0.257  1.0
  F  F24  1  0.558  0.727  0.717  1.0
  F  F25  1  0.442  0.273  0.283  1.0
  F  F26  1  0.058  0.273  0.783  1.0
  F  F27  1  0.942  0.727  0.217  1.0
  F  F28  1  0.348  0.732  0.479  1.0
  F  F29  1  0.652  0.268  0.521  1.0
  F  F30  1  0.848  0.268  0.021  1.0
  F  F31  1  0.152  0.732  0.979  1.0
  F  F32  1  0.784  0.888  0.457  1.0
  F  F33  1  0.216  0.112  0.543  1.0
  F  F34  1  0.284  0.112  0.043  1.0
  F  F35  1  0.716  0.888  0.957  1.0
[/CIF]
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The compound described by KWH8(NF3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form KF6 octahedra that share corners with six equivalent W(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 25-35°. W(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form WF6 octahedra that share corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 25-35°. N(1) is bonded in a tetrahedral geometry to one H(1), one H(2), one H(3), and one H(4) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) and one F(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) and one F(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(1) atom. There are three inequivalent F sites. In the first F site, F(3) is bonded in a 3-coordinate geometry to one K(1), one W(1), and one H(3) atom. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and one W(1) atom. In the third F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one W(1), and one H(2) atom. is represented by the CIF file [CIF]
data_KH8W(NF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.447
_cell_length_b   6.487
_cell_length_c   11.463
_cell_angle_alpha   56.112
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   397.968
_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  0.500  0.500  1.0
  H  H2  1  0.029  0.578  0.769  1.0
  H  H3  1  0.971  0.422  0.231  1.0
  H  H4  1  0.529  0.422  0.731  1.0
  H  H5  1  0.471  0.578  0.269  1.0
  H  H6  1  0.039  0.736  0.847  1.0
  H  H7  1  0.961  0.264  0.153  1.0
  H  H8  1  0.539  0.264  0.653  1.0
  H  H9  1  0.461  0.736  0.347  1.0
  H  H10  1  0.071  0.891  0.669  1.0
  H  H11  1  0.929  0.109  0.331  1.0
  H  H12  1  0.571  0.109  0.831  1.0
  H  H13  1  0.429  0.891  0.169  1.0
  H  H14  1  0.833  0.766  0.743  1.0
  H  H15  1  0.167  0.234  0.257  1.0
  H  H16  1  0.333  0.234  0.757  1.0
  H  H17  1  0.667  0.766  0.243  1.0
  W  W18  1  0.500  0.000  0.500  1.0
  W  W19  1  0.000  0.000  0.000  1.0
  N  N20  1  0.992  0.744  0.757  1.0
  N  N21  1  0.008  0.256  0.243  1.0
  N  N22  1  0.492  0.256  0.743  1.0
  N  N23  1  0.508  0.744  0.257  1.0
  F  F24  1  0.558  0.727  0.717  1.0
  F  F25  1  0.442  0.273  0.283  1.0
  F  F26  1  0.058  0.273  0.783  1.0
  F  F27  1  0.942  0.727  0.217  1.0
  F  F28  1  0.348  0.732  0.479  1.0
  F  F29  1  0.652  0.268  0.521  1.0
  F  F30  1  0.848  0.268  0.021  1.0
  F  F31  1  0.152  0.732  0.979  1.0
  F  F32  1  0.784  0.888  0.457  1.0
  F  F33  1  0.216  0.112  0.543  1.0
  F  F34  1  0.284  0.112  0.043  1.0
  F  F35  1  0.716  0.888  0.957  1.0
[/CIF]
.