#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/15/1001559.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_1001559
_chemical_name_systematic          'Lead strontium iron oxide (0.8/4/2/9)'
_chemical_formula_structural       'Pb0.78 Sr4 Fe2 O9'
_chemical_formula_sum            'Fe2 O9 Pb0.78 Sr4'
_[local]_cod_chemical_formula_sum_orig 'Fe2 O9 Pb.78 Sr4'
_publ_section_title
;
Pb~1-x~Sr~4~Fe~2~O~9-d~: a layered iron oxide intergrowth of 1201- and
0201-type structures
;
loop_
_publ_author_name
  'Lucas, S'
  'Groult, D'
  'Nguyen, N'
  'Michel, C'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    102
_journal_year                      1993
_journal_page_first                20
_journal_page_last                 30
_cell_length_a                     3.8349(1)
_cell_length_b                     3.8349(1)
_cell_length_c                     30.664(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       451.0
_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
  Pb4+   4.000
  Sr2+   2.000
  Fe3+   3.430
  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
  Pb1   Pb4+   8 i 0.060(4) 0. 0. 0.1962(37)  0 d
  Sr1   Sr2+   4 e 0.5 0.5 0.0851(1) 1.  0 d
  Sr2   Sr2+   4 e 0.5 0.5 0.2054(1) 1.  0 d
  Fe1   Fe3+   4 e 0. 0. 0.1499(2) 1.  0 d
  O1    O2-    2 b 0. 0. 0.5 1.  0 d
  O2    O2-   16 n 0.192(8) 0. 0.0694(4) 0.25  0 d
  O3    O2-    8 g 0.5 0. 0.1441(6) 1.  0 d
  O4    O2-    4 e 0. 0. 0.2124(3) 1.  0 d
_refine_ls_R_factor_all            0.085
_cod_database_code 1001559