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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/1/53/58/1535834.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_1535834
loop_
_publ_author_name
'Nagel, R.'
'Kuemmerle, E.'
'Lutz, H.D.'
_publ_section_title
;
 a compound with H...(I(V) O3)(-) hydrogen bonds
;
_journal_name_full
'Bulletin of the Polish Academy of Sciences, Chemistry'
_journal_page_first              51
_journal_page_last               66
_journal_volume                  50
_journal_year                    2002
_chemical_formula_sum            'Co H8 I2 O10'
_chemical_name_systematic        'Co (I O3)2 (H2 O)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.12
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.368
_cell_length_b                   6.562
_cell_length_c                   8.502
_cell_volume                     459.588
_citation_journal_id_ASTM        BPACEQ
_cod_data_source_file            Nagel_BPACEQ_2002_222.cif
_cod_data_source_block           H8Co1I2O10
_cod_original_cell_volume        459.5884
_cod_original_formula_sum        'H8 Co1 I2 O10'
_cod_database_code               1535834
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
H4 H+1 0.7757 0.7217 0.5578 1 0.0
O1 O-2 0.83936 0.92991 0.44332 1 0.0
O5 O-2 0.56315 0.57848 0.28844 1 0.0
H3 H+1 0.7668 0.6133 0.7223 1 0.0
O2 O-2 0.15269 0.88511 0.26064 1 0.0
O4 O-2 0.7391 0.59981 0.60731 1 0.0
I1 I+5 0.16332 0.81922 0.46721 1 0.0
H2 H+1 0.6544 0.5047 0.2595 1 0.0
Co1 Co+2 0.5 0 0 1 0.0
H1 H+1 0.4901 0.6163 0.1912 1 0.0
O3 O-2 0.3815 0.77989 0.51865 1 0.0
