data_1008059
_chemical_name_systematic          'Potassium antimony trifluoride nitrate'
_chemical_formula_structural       'K Sb F3 N O3'
_chemical_formula_sum              'F3 K N O3 Sb'
_publ_section_title
;
Structure cristalline et moleculaire de K Sb F~3~ N O~3~
;
loop_
_publ_author_name
  'Bourgault, M'
  'Ducourant, M B'
  'Mascherpa=Corral, D'
  'Fourcade, R'
_journal_name_full                 'Journal of Fluorine Chemistry'
_journal_coden_ASTM                JFLCAR
_journal_volume                    17
_journal_year                      1981
_journal_page_first                215
_journal_page_last                 224
_cell_length_a                     7.911(2)
_cell_length_b                     7.861(1)
_cell_length_c                     18.092(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1125.1
_cell_formula_units_Z              8
_exptl_crystal_density_meas        3.29
_symmetry_space_group_name_H-M     'P b c a'
_symmetry_Int_Tables_number        61
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sb3+   3.000
  K1+    1.000
  F1-   -1.000
  O2-   -2.000
  N5+    5.000
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
  Sb1   Sb3+   8 c 0.55298(7) 0.07074(7) 0.39221(3) 1.  0 d
  K1    K1+    8 c 0.4261(3) 0.5707(3) 0.3160(1) 1.  0 d
  F1    F1-    8 c 0.464(1) -0.0883(8) 0.3175(4) 1.  0 d
  F2    F1-    8 c 0.4124(8) 0.2311(9) 0.3400(3) 1.  0 d
  F3    F1-    8 c 0.7283(9) 0.1150(8) 0.3202(4) 1.  0 d
  O1    O2-    8 c 0.733(1) 0.473(1) 0.5390(4) 1.  0 d
  O2    O2-    8 c 0.531(1) 0.289(1) 0.5321(4) 1.  0 d
  O3    O2-    8 c 0.678(1) 0.348(1) 0.4359(4) 1.  0 d
  N1    N5+    8 c 0.649(1) 0.369(1) 0.5033(5) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Sb1   0.0271 0.0003 0.001 0.0213 -0.0038 0.0242
  K1    0.04 0.0005 0.0072 0.025 0.0058 0.031
  F1    0.075 -0.026 0.004 0.03 0.006 0.036
  F2    0.041 -0.003 0.038 0.03 -0.024 0.06
  F3    0.042 -0.008 -0.023 0.045 -0.009 0.041
  O1    0.038 -0.012 0.009 0.041 0.017 0.043
  O2    0.053 -0.019 -0.035 0.034 -0.003 0.045
  O3    0.047 -0.032 -0.016 0.044 0.013 0.028
  N1    0.025 -0.006 0.0004 0.023 -0.003 0.033
_refine_ls_R_factor_all            0.044