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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001709.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_1001709
_chemical_name_systematic          'Bismuth strontium iron oxide (2/2.6/2/11)'
_chemical_formula_structural       'Bi2 Sr2.591 Fe2 O11'
_chemical_formula_analytical       'Bi2.31 Sr2.66 Fe2 O11'
_chemical_formula_sum              'Bi2 Fe2 O11 Sr2.591'
_publ_section_title
;
X-ray investigation of the incommensurate modulated structure of Bi2+x
Sr3-x Fe2 O9+d
;
loop_
_publ_author_name
  'Perez, O'
  'Leligny, H'
  'Grebille, D'
  'Labbe, Ph'
  'Groult, D'
  'Raveau, B'
_journal_name_full                 'Journal of Physics: Condensed Matter'
_journal_coden_ASTM                JCOMEL
_journal_volume                    7
_journal_year                      1995
_journal_page_first                10003
_journal_page_last                 10014
_cell_length_a                     5.488(1)
_cell_length_b                     5.475(1)
_cell_length_c                     31.50899(500)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       946.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'F m m m'
_symmetry_Int_Tables_number        69
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  '-x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
  '-x,y,z'
  'x,-y,z'
  'x,y,-z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
  '-x,1/2-y,1/2-z'
  '1/2-x,-y,1/2-z'
  '1/2-x,1/2-y,-z'
  '-x,1/2+y,1/2+z'
  '1/2-x,y,1/2+z'
  '1/2-x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '1/2+x,1/2-y,z'
  'x,1/2+y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2+x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi5+   5.000
  Sr2+   2.000
  Fe3+   3.409
  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   Bi5+  16 n 0.0221(6) 0. 0.2028 0.5  0 d
  Sr1   Sr2+   8 i 0.5 0. 0.1176(1) 0.7955(120)  0 d
  Sr2   Sr2+   4 b 0.5 0. 0. 1.  0 d
  Fe1   Fe3+   8 i 0. 0. 0.0607(2) 1.  0 d
  O1    O2-   16 j 0.25 0.25 0.0668(6) 1.  0 d
  O2    O2-    8 i 0. 0. 0.1389(10) 1.  0 d
  O3    O2-    4 a 0. 0. 0. 1.  0 d
  O4    O2-   16 n 0.6917(101) 0. 0.1973(11) 1.  0 d
_refine_ls_R_factor_all            0.064