#------------------------------------------------------------------------------
#$Date: 2021-04-22 17:08:58 +0200 (Thu 22 de Apr de 2021) $
#$Revision: 264420 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/42/9014274.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_9014274
loop_
_publ_author_name
'Kars, Mohammed'
'Roisnel, Thierry'
'Dorcet, Vincent'
'Rebbah, Allaoua'
'Carlos, Otero-Diáz L.'
_publ_section_title
;
 Redetermination of Hg₂I₂
;
_journal_coden_ASTM              ACSEBH
_journal_coeditor_code           WM2566
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section E: Structure Reports Online
;
_journal_page_first              i11
_journal_page_last               i11
_journal_paper_doi               10.1107/S1600536811056339
_journal_volume                  68
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Hg2 I2'
_chemical_name_common            'mercurous iodide'
_chemical_name_mineral           Moschelite
_chemical_name_systematic        'mercury(I) iodide'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.8974
_cell_length_b                   4.8974
_cell_length_c                   11.649
_cell_volume                     279.396
_database_code_amcsd             0018645
_exptl_crystal_density_diffrn    7.786
_cod_duplicate_entry             2233659
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_formula_sum        'Hg I'
_cod_database_code               9014274
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,x,-z
1/2+y,1/2+x,1/2-z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,-x,-z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Hg 0.03560 0.03560 0.00780 0.00000 0.00000 0.00000
I 0.02710 0.02710 0.00790 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hg 0.00000 0.00000 0.11118 0.02630
I 0.00000 0.00000 0.34524 0.02070
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018645
