#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/40/1004052.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
loop_
_publ_author_name
'Conflant, P'
'Boivin, J C'
'Thomas, D'
_publ_section_title
;
Etude structurale du conducteur anionique Bi~0.765~ Sr~0.235~ O~1.383~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              192
_journal_page_last               199
_journal_paper_doi               10.1016/0022-4596(80)90493-4
_journal_volume                  35
_journal_year                    1980
_chemical_formula_analytical     'Bi0.765 Sr0.235 O1.383'
_chemical_formula_structural     'Bi.76 Sr.23 O1.11'
_chemical_formula_sum            'Bi0.76 O1.11 Sr0.23'
_chemical_name_systematic        'Bismuth strontium oxide (.8/.2/1.1)'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                23.49
_cell_angle_beta                 23.49
_cell_angle_gamma                23.49
_cell_formula_units_Z            3
_cell_length_a                   9.75
_cell_length_b                   9.75
_cell_length_c                   9.75
_cell_volume                     129.3
_refine_ls_R_factor_all          0.03
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_original_formula_sum        'Bi.76 O1.11 Sr.23'
_cod_database_code               1004052
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3.000
Sr2+ 2.000
O2- -2.000
