The crystal structure described by KNb3F9 crystallizes in the orthorhombic C222_1 space group. K(1) is bonded in a 6-coordinate geometry to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles range from 17-46°. In the second Nb site, Nb(2) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles range from 9-46°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one K(1), one Nb(1), and one Nb(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one K(1), one Nb(1), and one Nb(2) atom. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to one K(1) and two equivalent Nb(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Nb(2) atoms. is represented by the CIF card [CIF]
data_KNb3F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.952
_cell_length_b   7.952
_cell_length_c   8.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.070
_symmetry_Int_Tables_number   1
_cell_volume   458.283
_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  0.498  0.502  0.250  1.0
  K  K1  1  0.502  0.498  0.750  1.0
  Nb  Nb2  1  0.001  0.501  0.507  1.0
  Nb  Nb3  1  0.501  0.001  0.493  1.0
  Nb  Nb4  1  0.999  0.999  0.000  1.0
  Nb  Nb5  1  0.001  0.001  0.500  1.0
  Nb  Nb6  1  0.499  0.999  0.993  1.0
  Nb  Nb7  1  0.999  0.499  0.007  1.0
  F  F8  1  0.492  0.957  0.743  1.0
  F  F9  1  0.957  0.492  0.257  1.0
  F  F10  1  0.690  0.881  0.017  1.0
  F  F11  1  0.881  0.690  0.983  1.0
  F  F12  1  0.691  0.881  0.479  1.0
  F  F13  1  0.881  0.691  0.521  1.0
  F  F14  1  0.692  0.308  0.971  1.0
  F  F15  1  0.308  0.692  0.029  1.0
  F  F16  1  0.013  0.987  0.250  1.0
  F  F17  1  0.987  0.013  0.750  1.0
  F  F18  1  0.692  0.308  0.529  1.0
  F  F19  1  0.308  0.692  0.471  1.0
  F  F20  1  0.119  0.309  0.021  1.0
  F  F21  1  0.309  0.119  0.979  1.0
  F  F22  1  0.119  0.310  0.483  1.0
  F  F23  1  0.310  0.119  0.517  1.0
  F  F24  1  0.043  0.508  0.757  1.0
  F  F25  1  0.508  0.043  0.243  1.0
[/CIF]
.
The crystal structure described by KNb3F9 crystallizes in the orthorhombic C222_1 space group. K(1) is bonded in a 6-coordinate geometry to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles range from 17-46°. In the second Nb site, Nb(2) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles range from 9-46°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one K(1), one Nb(1), and one Nb(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one K(1), one Nb(1), and one Nb(2) atom. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to one K(1) and two equivalent Nb(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Nb(2) atoms. is represented by the CIF card [CIF]
data_KNb3F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.952
_cell_length_b   7.952
_cell_length_c   8.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.070
_symmetry_Int_Tables_number   1
_cell_volume   458.283
_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  0.498  0.502  0.250  1.0
  K  K1  1  0.502  0.498  0.750  1.0
  Nb  Nb2  1  0.001  0.501  0.507  1.0
  Nb  Nb3  1  0.501  0.001  0.493  1.0
  Nb  Nb4  1  0.999  0.999  0.000  1.0
  Nb  Nb5  1  0.001  0.001  0.500  1.0
  Nb  Nb6  1  0.499  0.999  0.993  1.0
  Nb  Nb7  1  0.999  0.499  0.007  1.0
  F  F8  1  0.492  0.957  0.743  1.0
  F  F9  1  0.957  0.492  0.257  1.0
  F  F10  1  0.690  0.881  0.017  1.0
  F  F11  1  0.881  0.690  0.983  1.0
  F  F12  1  0.691  0.881  0.479  1.0
  F  F13  1  0.881  0.691  0.521  1.0
  F  F14  1  0.692  0.308  0.971  1.0
  F  F15  1  0.308  0.692  0.029  1.0
  F  F16  1  0.013  0.987  0.250  1.0
  F  F17  1  0.987  0.013  0.750  1.0
  F  F18  1  0.692  0.308  0.529  1.0
  F  F19  1  0.308  0.692  0.471  1.0
  F  F20  1  0.119  0.309  0.021  1.0
  F  F21  1  0.309  0.119  0.979  1.0
  F  F22  1  0.119  0.310  0.483  1.0
  F  F23  1  0.310  0.119  0.517  1.0
  F  F24  1  0.043  0.508  0.757  1.0
  F  F25  1  0.508  0.043  0.243  1.0
[/CIF]
.