#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/39/4123978.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_4123978
loop_
_publ_author_name
'Bateman, R.J.'
'Bateman, L.R.'
_publ_section_title
;
 Solid-state structure, nuclear quadrupole resonance spectrum, and the
 resultant symmetry implications for tetrachloro- iodic acid tetrahydrate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1130
_journal_page_last               1134
_journal_volume                  94
_journal_year                    1972
_chemical_formula_sum            'Cl4 H9 I O4'
_chemical_name_systematic        'H I Cl4 (H2 O)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                96.1
_cell_formula_units_Z            2
_cell_length_a                   8.46
_cell_length_b                   11.34
_cell_length_c                   5.31
_cell_volume                     506.538
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Bateman_JACSAT_1972_1363.cif
_cod_data_source_block           H9Cl4I1O4
_cod_original_cell_volume        506.5379
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'H9 Cl4 I1 O4'
_cod_database_code               4123978
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z+1/2
-x,-y,-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
O2 O-2 0.6626 0.2249 -0.0556 1 0.0
Cl1 Cl-1 0.2915 0.0717 -0.0282 1 0.0
O1 O-2 0.4476 0.3861 -0.0069 1 0.0
Cl2 Cl-1 -0.0338 0.1457 0.3536 1 0.0
I1 I+3 0 0 0 1 0.0
