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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/2/10/62/2106238.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_2106238
loop_
_publ_author_name
'Bach, H.'
'Kueppers, H.'
_publ_section_title
;
 Cadmium diiodate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              263
_journal_page_last               265
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Cd I2 O6'
_chemical_name_systematic        'Cd (I O3)2'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.856
_cell_length_b                   17.47
_cell_length_c                   5.582
_cell_volume                     571.063
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bach_ACBCAR_1978_825.cif
_cod_data_source_block           Cd1I2O6
_cod_original_cell_volume        571.0627
_cod_original_formula_sum        'Cd1 I2 O6'
_cod_database_code               2106238
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,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
I2 I+5 0.63699 0.07754 0.02919 1 0.0
O1 O-2 0.0203 0.165 0.0417 1 0.0
O5 O-2 0.5057 0.1613 -0.107 1 0.0
Cd1 Cd+2 0.17191 0.09346 0.70714 1 0.0
O3 O-2 0.0327 0.2081 0.5185 1 0.0
I1 I+5 0.21417 0.2087 0.25443 1 0.0
O6 O-2 0.3977 0.0148 -0.0456 1 0.0
O2 O-2 0.3694 0.1249 0.3645 1 0.0
O4 O-2 0.8169 0.0482 -0.2196 1 0.0
