data_global _amcsd_formula_title 'Bi0.75 O1.37 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 1004103 ; _database_code_amcsd 0013820 _chemical_formula_sum 'Sr.75 Bi2.25 O4.1' _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 404.188 _exptl_crystal_density_diffrn 7.414 _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 0.22500 1.00000 O1 0.00000 0.00000 0.29500 1.00000 O2 0.00000 0.00000 0.09680 0.11670 O3 0.06820 0.13640 0.11310 0.15560 O4 0.00000 0.00000 0.44370 0.35000 O5 0.22600 0.45200 0.11770 0.03890 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 0.03840 0.03840 0.07100 0.01920 0.00000 0.00000 Bi1 0.03840 0.03840 0.07100 0.01920 0.00000 0.00000 Bi2 0.05270 0.05270 0.03900 0.02630 0.00000 0.00000 O1 0.08290 0.08290 0.05150 0.04140 0.00000 0.00000 O2 0.08600 0.08600 0.02180 0.04300 0.00000 0.00000