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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/51/1535178.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_1535178
loop_
_publ_author_name
'Bentria, B.'
'Benbertal, D.'
'Masse, R.'
'Bagieu-Beucher, M.'
'Mosset, A.'
_publ_section_title
;
 Crystal structure of anhydrous bismuth iodate, Bi(IO₃)₃
;
_journal_issue                   11
_journal_name_full               'Journal of Chemical Crystallography'
_journal_page_first              867
_journal_page_last               873
_journal_paper_doi               10.1023/A:1027409929990
_journal_volume                  33
_journal_year                    2003
_chemical_formula_sum            'Bi I3 O9'
_chemical_name_systematic        'Bi (I O3)3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.0641
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8882
_cell_length_b                   5.9445
_cell_length_c                   15.2445
_cell_volume                     799.343
_citation_journal_id_ASTM        JCCYEV
_cod_data_source_file            Bentria_JCCYEV_2003_1159.cif
_cod_data_source_block           Bi1I3O9
_cod_original_cell_volume        799.3428
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Bi1 I3 O9'
_cod_database_code               1535178
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-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
O2 O-2 0.1401 -0.053 0.7033 1 0.0
O9 O-2 0.414 -0.1812 0.2559 1 0.0
O6 O-2 0.2824 0.4716 0.3801 1 0.0
O5 O-2 0.411 0.421 0.5541 1 0.0
I3 I+5 0.38515 0.09586 0.30087 1 0.0
O1 O-2 0.1437 0.0931 0.5406 1 0.0
O7 O-2 0.2353 0.002 0.3639 1 0.0
O8 O-2 0.547 0.09 0.3841 1 0.0
O4 O-2 0.1419 0.606 0.5085 1 0.0
O3 O-2 0.0725 0.388 0.6726 1 0.0
Bi1 Bi+3 0.04515 0.27493 0.39501 1 0.0
I2 I+5 0.33403 0.64004 0.47926 1 0.0
I1 I+5 0.2176 0.18731 0.64895 1 0.0
