#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1004052.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_1004052
_chemical_name_systematic          'Bismuth strontium oxide (.8/.2/1.1)'
_chemical_formula_structural       'Bi.76 Sr.23 O1.11'
_chemical_formula_analytical       'Bi0.765 Sr0.235 O1.383'
_chemical_formula_sum              'Bi.76 O1.11 Sr.23'
_publ_section_title
;
Etude structurale du conducteur anionique Bi~0.765~ Sr~0.235~ O~1.383~
;
loop_
_publ_author_name
  'Conflant, P'
  'Boivin, J C'
  'Thomas, D'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    35
_journal_year                      1980
_journal_page_first                192
_journal_page_last                 199
_cell_length_a                     9.75
_cell_length_b                     9.75
_cell_length_c                     9.75
_cell_angle_alpha                  23.49
_cell_angle_beta                   23.49
_cell_angle_gamma                  23.49
_cell_volume                       129.3
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'R -3 m R'
_symmetry_Int_Tables_number        166
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,x,z'
  'y,z,x'
  'x,z,y'
  'z,x,y'
  'z,y,x'
  '-x,-y,-z'
  '-y,-x,-z'
  '-y,-z,-x'
  '-x,-z,-y'
  '-z,-x,-y'
  '-z,-y,-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  Sr2+   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
  Bi1   Bi3+   1 a 0. 0. 0. 0.295  0 d
  Sr1   Sr2+   1 a 0. 0. 0. 0.705  0 d
  Bi2   Bi3+   2 c 0.22397(2) 0.22397(2) 0.22397(2) 1.  0 d
  O1    O2-    2 c 0.29459(52) 0.29459(52) 0.29459(52) 1.  0 d
  O2    O2-    2 c 0.09907(130) 0.09907(130) 0.09907(130) 0.667  0 d
_refine_ls_R_factor_all            0.03