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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/91/1539103.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_1539103
loop_
_publ_author_name
'Sillen, L.G.'
_publ_section_title
;
 Die Kristallstruktur einiger Strontium-wismutoxyhalogenide (SrBi3O4Cl3,
 SrBiO2Br, SrBi2O3Br2, SrBi3O4Br3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              115
_journal_page_last               126
_journal_volume                  246
_journal_year                    1941
_chemical_formula_sum            'Bi3 Cl3 O4 Sr'
_chemical_name_systematic        'Sr Bi3 O4 Cl3'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.939
_cell_length_b                   3.939
_cell_length_c                   26.98999
_cell_volume                     418.769
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sillen_ZAACAB_1941_844.cif
_cod_data_source_block           Bi3Cl3O4Sr1
_cod_original_cell_volume        418.7691
_cod_original_formula_sum        'Bi3 Cl3 O4 Sr1'
_cod_database_code               1539103
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0 0.5 0.1145 1 0.0
Cl1 Cl-1 0 0 0.213 1 0.0
Sr1 Sr+2 0 0 0.343 0.5 0.0
Bi2 Bi+3 0 0 0.343 0.5 0.0
Cl2 Cl-1 0 0 0.5 1 0.0
Bi1 Bi+3 0 0 0.072 1 0.0
