data_global
_amcsd_formula_title 'Bi0.75 O1.36 Sr0.25'
loop_
_publ_author_name
'Mercurio D'
'Champarnaud-Mesjard J'
'Frit B'
'Conflant P'
'Boivin J'
'Vogt T'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 112 
_journal_year 1994
_journal_page_first 1
_journal_page_last 8
_publ_section_title
;
 Thermal evolution of the crystal structure of the rhombohedral
 Bi0.75Sr0.25O1.375 phase: a single crystal neutron diffraction study
 _cod_database_code 1004101
;
_database_code_amcsd 0013818
_chemical_formula_sum 'Sr.75 Bi2.25 O4.067'
_cell_length_a 3.97
_cell_length_b 3.97
_cell_length_c 28.53999
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 389.552
_exptl_crystal_density_diffrn      7.686
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1   0.00000   0.00000   0.00000   0.75000
Bi1   0.00000   0.00000   0.00000   0.25000
Bi2   0.00000   0.00000   0.22440   1.00000
O1   0.00000   0.00000   0.29490   1.00000
O2   0.00000   0.00000   0.09810   0.16670
O3   0.05510   0.11020   0.10330   0.21670
O4   0.00000   0.00000   0.44800   0.21670
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sr1 0.01390 0.01390 0.04290 0.00700 0.00000 0.00000
Bi1 0.01390 0.01390 0.04290 0.00700 0.00000 0.00000
Bi2 0.02390 0.02390 0.01390 0.01190 0.00000 0.00000
O1 0.04560 0.04560 0.01520 0.02280 0.00000 0.00000
O2 0.03800 0.03800 0.03710 0.01900 0.00000 0.00000