data_1008237
_chemical_name_systematic          'Potassium niobium fluoride (0.3/1/3)'
_chemical_formula_structural       'K0.3 Nb F3'
_chemical_formula_sum              'F3 K.3 Nb'
_publ_section_title
;
Chemical Preparation and X-ray Structure Determination of K~0.3~ Nb F
;
loop_
_publ_author_name
  'Masse, R'
  'Aleonard, S'
  'Averbuch-Pouchot, M T'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    53
_journal_year                      1984
_journal_page_first                136
_journal_page_last                 139
_cell_length_a                     7.540(3)
_cell_length_b                     13.06(2)
_cell_length_c                     7.750(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       763.2
_cell_formula_units_Z              12
_symmetry_space_group_name_H-M     'C 2 2 21'
_symmetry_Int_Tables_number        20
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  '-x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Nb3+   2.700
  K1+    1.000
  F1-   -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Nb1   Nb3+   4 a -0.0038(4) 0. 0. 1.  0 d
  Nb2   Nb3+   8 c 0.2515(3) 0.2518(2) 0.0013(5) 1.  0 d
  K1    K1+    4 b 0. 0.497(2) 0.25 0.9  0 d
  F1    F1-    8 c 0.5020(15) 0.2095(4) 0.473(1) 1.  0 d
  F2    F1-    8 c 0.6850(13) 0.3964(6) -0.042(1) 1.  0 d
  F3    F1-    8 c 0.6872(7) 0.3947(4) 0.494(2) 1.  0 d
  F4    F1-    8 c 0.7715(11) 0.2625(9) 0.256(2) 1.  0 d
  F5    F1-    4 b 0. -0.0119(11) 0.25 1.  0 d
_refine_ls_R_factor_all            0.044