data_1000219
_chemical_name_systematic          'Sodium barium iron(III) nonafluoride'
_chemical_formula_structural       'Na Ba Fe2 F9'
_chemical_formula_sum              'Ba F9 Fe2 Na'
_publ_section_title
;
Magnetic structure of the canted 1D-antiferromagnet Na Ba Fe~2~ F~9~
;
loop_
_publ_author_name
  'De=Kozak, A'
  'Samouel, M'
  'Leblanc, M'
  'Ferey, G'
  'Pannetier, J'
_journal_name_full                 'Solid State Communications'
_journal_coden_ASTM                SSCOA4
_journal_volume                    55
_journal_year                      1985
_journal_page_first                887
_journal_page_last                 890
_cell_length_a                     7.3236(3)
_cell_length_b                     17.4525(7)
_cell_length_c                     5.4586(2)
_cell_angle_alpha                  90
_cell_angle_beta                   91.840(3)
_cell_angle_gamma                  90
_cell_volume                       697.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe3+   3.000
  Na1+   1.000
  Ba2+   2.000
  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   Fe3+   4 e 0.4092(6) 0.6249(3) 0.2309(8) 1.  0 d
  Fe2   Fe3+   4 e 0.2698(6) 0.4196(3) 0.2620(9) 1.  0 d
  Na1   Na1+   4 e 0.3011(15) 0.0377(6) 0.7557(22) 1.  0 d
  Ba1   Ba2+   4 e 0.0602(11) 0.2856(5) 0.7331(16) 1.  0 d
  F1    F1-    4 e 0.1383(10) 0.4196(5) -0.0429(14) 1.  0 d
  F2    F1-    4 e -0.0005(9) 0.9226(5) 0.4164(14) 1.  0 d
  F3    F1-    4 e 0.2811(10) 0.3111(4) 0.2956(14) 1.  0 d
  F4    F1-    4 e 0.4423(10) 0.9193(5) 0.0423(13) 1.  0 d
  F5    F1-    4 e 0.2773(10) 0.1651(5) 0.4881(14) 1.  0 d
  F6    F1-    4 e 0.2086(9) 0.1648(5) -0.0060(15) 1.  0 d
  F7    F1-    4 e 0.2401(12) 0.0310(4) 0.2455(16) 1.  0 d
  F8    F1-    4 e 0.4333(10) 0.2914(5) 0.8135(16) 1.  0 d
  F9    F1-    4 e 0.400(1) 0.4317(5) 0.5777(14) 1.  0 d
_refine_ls_R_factor_all            0.093