#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/51/9015189.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9015189
loop_
_publ_author_name
'Stalhandske, C.'
'Aurivillius, K.'
'Bertinsson, G. I.'
_publ_section_title
;
 Structure of mercury(I,II) iodide oxide, Hg2OI
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              167
_journal_page_last               168
_journal_paper_doi               10.1107/S0108270185003183
_journal_volume                  41
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Hg2 I O'
_chemical_name_mineral           Aurivilliusite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.61
_cell_angle_gamma                90
_cell_length_a                   17.603
_cell_length_b                   6.981
_cell_length_c                   6.701
_cell_formula_units_Z            8
_cell_volume                     806.615
_database_code_amcsd             0019050
_exptl_crystal_density_diffrn    8.961
_cod_database_code               9015189
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hg1 0.42663 0.33341 0.22195 0.02976
Hg2 0.24490 0.09588 0.21067 0.02394
I 0.11394 0.33246 0.32323 0.02951
O 0.30280 0.35770 0.15890 0.01862
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019050
