#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/65/9016527.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9016527
loop_
_publ_author_name
'Boivin, J.'
'Thomas, D.'
_publ_section_title
;
 Structural investigations on bismuth-based oxides
 _cod_database_code 1004071
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              457
_journal_page_last               462
_journal_volume                  3
_journal_year                    1981
_chemical_formula_sum            'Bi2.295 O4 Sr0.706'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.971
_cell_length_b                   3.971
_cell_length_c                   28.41
_cell_formula_units_Z            3
_cell_volume                     387.973
_database_code_amcsd             0015498
_exptl_crystal_density_diffrn    7.774
_cod_duplicate_entry             1004071
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Sr.706 Bi2.295 O4'
_cod_database_code               9016527
_amcsd_formula_title             'Bi1.72 O3 Sr0.53'
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 0.70600
Bi1 0.00000 0.00000 0.00000 0.29500
Bi2 0.00000 0.00000 0.22400 1.00000
O1 0.00000 0.00000 0.29460 1.00000
O2 0.00000 0.00000 0.09910 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015498
