data_1000245
_chemical_name_systematic          'Iron hexafluoroniobate(IV)'
_chemical_formula_structural       'Fe (Nb F6)'
_chemical_formula_sum              'F6 Fe Nb'
_publ_section_title
;
Fluorocomplexes of Niobium IV; VI: Moessbauer study and magnetic
structure of Fe Nb F~6~
;
loop_
_publ_author_name
  'Delobbe, V'
  'Chassaing, J'
  'Bizot, D'
  'Quarton, M'
  'Lacorre, P'
  'Calage, Y'
  'Leblanc, M'
  'Ferey, G'
_journal_name_full                 'Journal of Magnetism and Magnetic Materials'
_journal_coden_ASTM                JMMMDC
_journal_volume                    74
_journal_year                      1988
_journal_page_first                165
_journal_page_last                 176
_cell_length_a                     7.793(1)
_cell_length_b                     7.7398(12)
_cell_length_c                     7.7435(12)
_cell_angle_alpha                  86.585(12)
_cell_angle_beta                   87.046(8)
_cell_angle_gamma                  86.138(9)
_cell_volume                       464.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe2+   2.000
  Nb4+   4.000
  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
  Fe1   Fe2+   1 a 0. 0. 0. 1.  0 d
  Fe2   Fe2+   1 g 0. 0.5 0.5 1.  0 d
  Fe3   Fe2+   1 e 0.5 0.5 0. 1.  0 d
  Fe4   Fe2+   1 f 0.5 0. 0.5 1.  0 d
  Nb1   Nb4+   1 d 0.5 0. 0. 1.  0 d
  Nb2   Nb4+   1 c 0. 0.5 0. 1.  0 d
  Nb3   Nb4+   1 b 0. 0. 0.5 1.  0 d
  Nb4   Nb4+   1 h 0.5 0.5 0.5 1.  0 d
  F1    F1-    2 i 0.0449(6) 0.2508(7) -0.0583(4) 1.  0 d
  F2    F1-    2 i -0.0583(4) 0.0449(6) 0.2508(7) 1.  0 d
  F3    F1-    2 i 0.2508(7) -0.0583(4) 0.0449(6) 1.  0 d
  F4    F1-    2 i 0.0449(6) 0.7508(7) 0.4417(4) 1.  0 d
  F5    F1-    2 i 0.4417(4) 0.0449(6) 0.7508(7) 1.  0 d
  F6    F1-    2 i 0.7508(7) 0.4417(4) 0.0449(6) 1.  0 d
  F7    F1-    2 i 0.5449(6) 0.7508(7) -0.0583(4) 1.  0 d
  F8    F1-    2 i -0.0583(4) 0.5449(6) 0.7508(7) 1.  0 d
  F9    F1-    2 i 0.7508(7) -0.0583(4) 0.5449(6) 1.  0 d
  F10   F1-    2 i 0.5449(6) 0.2508(7) 0.4417(4) 1.  0 d
  F11   F1-    2 i 0.4417(4) 0.5449(6) 0.2508(7) 1.  0 d
  F12   F1-    2 i 0.2508(7) 0.4417(4) 0.5449(6) 1.  0 d
_refine_ls_R_factor_all            0.0577