data_1004103
_chemical_name_systematic
;
Bismuth strontium oxide (0.75/0.25/1.4) - $-beta~1~
;
_chemical_formula_structural       'Bi0.75 Sr0.25 O1.37'
_chemical_formula_sum              'Bi.75 O1.37 Sr.25'
_publ_section_title
;
Thermal evolution of the crystal structure of the rhombohedral
Bi~0.75~Sr~0.25~O~1.375~ phase: a single crystal neutron diffraction
study
;
loop_
_publ_author_name
  'Mercurio, D'
  'Champarnaud-Mesjard, J C'
  'Frit, B'
  'Conflant, P'
  'Boivin, J C'
  'Vogt, T'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    112
_journal_year                      1994
_journal_page_first                1
_journal_page_last                 8
_cell_length_a                     4.011
_cell_length_b                     4.011
_cell_length_c                     29.00999
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       404.2
_cell_formula_units_Z              9
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '2/3-y,1/3-x,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  '2/3+x-y,1/3-y,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Bi3+   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
  Sr1   Sr2+   3 a 0. 0. 0. 0.75  0 d
  Bi1   Bi3+   3 a 0. 0. 0. 0.25  0 d
  Bi2   Bi3+   6 c 0. 0. 0.2250(1) 1.  0 d
  O1    O2-    6 c 0. 0. 0.2950(2) 1.  0 d
  O2    O2-    6 c 0. 0. 0.0968(14) 0.1167  0 d
  O3    O2-   18 h 0.0682(69) 0.1364(69) 0.1131(11) 0.1556  0 d
  O4    O2-    6 c 0. 0. 0.4437(12) 0.35  0 d
  O5    O2-   18 h 0.2260(99) 0.4520(99) 0.1177(11) 0.0389  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Sr1   0.0384(17) 0.0192(9) 0. 0.0384(17) 0. 0.0710(36)
  Bi1   0.0384(17) 0.0192(9) 0. 0.0384(17) 0. 0.0710(36)
  Bi2   0.0527(13) 0.0263(7) 0. 0.0527(13) 0. 0.0390(16)
  O1    0.0829(25) 0.0414(12) 0. 0.0829(25) 0. 0.0515(34)
  O2    0.086(15) 0.0430(75) 0. 0.086(15) 0. 0.0218(147)
_refine_ls_R_factor_all            0.043