#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001694.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1001694
_chemical_name_systematic
;
Bismuth barium strontium iron oxide (3/1/6/3/16)
;
_chemical_formula_structural       '(Bi3 Ba) Sr6 Fe3 O16'
_chemical_formula_sum              'Ba Bi3 Fe3 O16 Sr6'
_publ_section_title
;
The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of
intergrowths of the 2201 and 0201 structures
;
loop_
_publ_author_name
  'Hervieu, M'
  'Pelloquin, D'
  'Michel, C'
  'Caldes, M T'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    118
_journal_year                      1995
_journal_page_first                227
_journal_page_last                 240
_cell_length_a                     3.837(1)
_cell_length_b                     3.837(1)
_cell_length_c                     61.15999(1000)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       900.4
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  Ba2+   2.000
  Sr2+   2.000
  Fe3+   3.000
  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
  Bi1   Bi3+   4 e 0. 0. 0.5746(1) 0.75  0 d
  Ba1   Ba2+   4 e 0. 0. 0.5746(1) 0.25  0 d
  Bi2   Bi3+   4 e 0. 0. 0.1219(1) 0.75  0 d
  Ba2   Ba2+   4 e 0. 0. 0.1219(1) 0.25  0 d
  Sr1   Sr2+   4 e 0. 0. 0.0305(2) 1.  0 d
  Sr2   Sr2+   4 e 0. 0. 0.6666(2) 1.  0 d
  Sr3   Sr2+   4 e 0. 0. 0.7271(3) 1.  0 d
  Fe1   Fe3+   2 b 0. 0. 0.5 1.  0 d
  Fe2   Fe3+   4 e 0. 0. 0.1975(3) 1.  0 d
  O1    O2-    4 c 0. 0.5 0. 1.  0 d
  O2    O2-    4 e 0. 0. 0.5374(12) 1.  0 d
  O3    O2-    4 e 0. 0. 0.0746(1) 1.  0 d
  O4    O2-    4 e 0. 0. 0.6219(1) 1.  0 d
  O5    O2-    4 e 0. 0. 0.1588(10) 1.  0 d
  O6    O2-    8 g 0. 0.5 0.1975(3) 1.  0 d
  O7    O2-    4 e 0. 0. 0.2311(1) 1.  0 d
_refine_ls_R_factor_all            0.111