data_2002363
_chemical_name_systematic          'Barium Iron Tantalum oxide (4/1/10/30)'
_chemical_formula_structural       'Ba4 Fe Ta10 O30'
_chemical_formula_sum              'Ba4 Fe O30 Ta10'
_publ_section_title
;
Ba4 Fe Ta10 O30, eine neue Verbindung mit Verwandtschaft zum Na Nb6 O15
F-Typ
;
loop_
_publ_author_name
  'Brandt, R'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    542
_journal_year                      1986
_journal_page_first                18
_journal_page_last                 24
_cell_length_a                     3.906(11)
_cell_length_b                     10.201(80)
_cell_length_c                     14.990(47)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       597.3
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'A m m 2'
_symmetry_Int_Tables_number        38
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  'x,1/2+y,1/2+z'
  '-x,1/2-y,1/2+z'
  '-x,1/2+y,1/2+z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ta5+   5.000
  Ba2+   2.000
  Fe2+   2.000
  O2-   -2.000
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
  Ta1   Ta5+   2 a 0. 0. 0.2056(8) 1.  0 d
  Ta2   Ta5+   4 d 0. 0.3167(8) 0.0819(9) 1.  0 d
  Ta3   Ta5+   4 d 0. 0.3154(7) 0.3346(8) 1.  0 d
  Ba1   Ba2+   2 b 0.5 0. 0.4064(9) 1.  0 d
  Ba2   Ba2+   2 b 0.5 0. 0.0033(8) 1.  0 d
  Fe1   Fe2+   2 b 0.5 0. 0.7002(40) 0.5  0 d
  O1    O2-    2 b 0.5 0. 0.195(12) 1.  0 d
  O2    O2-    4 e 0.5 0.335(4) 0.091(6) 1.  0 d
  O3    O2-    4 e 0.5 0.315(5) 0.358(4) 1.  0 d
  O4    O2-    4 d 0. 0.125(4) 0.113(5) 1.  0 d
  O5    O2-    4 d 0. 0.151(4) 0.292(6) 1.  0 d
  O6    O2-    4 d 0. 0.264(7) 0.455(11) 1.  0 d
  O7    O2-    4 d 0. 0.367(4) 0.209(10) 1.  0 d
  O8    O2-    2 a 0. 0. 0.882(5) 1.  0 d
  O9    O2-    2 a 0. 0. 0.541(6) 1.  0 d
_refine_ls_R_factor_all            0.071