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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/2/31/08/2310842.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310842
loop_
_publ_author_name
'Feikema, Y.D.'
'Vos, A.'
_publ_section_title
;
 The crystal structures of two oxy-acids of iodine. An X-ray diffraction
 study of anhydro-iodic acid, H I3 O8
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              769
_journal_page_last               777
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'H I3 O8'
_chemical_name_systematic        'H (I3 O8)'
_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                 90.1
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.548
_cell_length_b                   7.68
_cell_length_c                   11.4
_cell_volume                     660.841
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Feikema_ACCRA9_1966_974.cif
_cod_data_source_block           H1I3O8
_cod_original_cell_volume        660.8414
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H1 I3 O8'
_cod_database_code               2310842
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
O5 O-2 0.1822 0.7453 0.2397 1 0.0
O2 O-2 0.1291 0.4303 0.0872 1 0.0
O8 O-2 0.9797 0.1147 0.2253 1 0.0
O1 O-2 0.4585 0.3023 0.0532 1 0.0
I3 I+5 0.7558 0.0473 0.1915 1 0.0
O4 O-2 0.4406 0.9404 0.1375 1 0.0
I2 I+5 0.3376 0.7362 0.1035 1 0.0
O3 O-2 0.1737 0.8232 0.0076 1 0.0
I1 I+5 0.2415 0.2274 0.0953 1 0.0
O7 O-2 0.8031 0.8411 0.1246 1 0.0
O6 O-2 0.787 0.455 0.1566 1 0.0
