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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/14/9001406.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_9001406
loop_
_publ_author_name
'Mason, B.'
'Mumme, W. G.'
'Sarp, H.'
_publ_section_title
;
 Capgaronnite, HgSAg(Cl,Br,I), a new sulfide-halide mineral from Var, France
;
_journal_name_full               'American Mineralogist'
_journal_page_first              197
_journal_page_last               200
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Ag Br0.18 Cl0.82 Hg S'
_chemical_name_mineral           Capgaronnite
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.803
_cell_length_b                   12.87
_cell_length_c                   4.528
_cell_formula_units_Z            4
_cell_volume                     396.447
_database_code_amcsd             0001444
_exptl_crystal_density_diffrn    6.433
_cod_original_formula_sum        'Hg Ag S (Cl.82 Br.18)'
_cod_database_code               9001406
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2+y,-z
1/2+x,1/2-y,-z
-x,-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Hg 0.13400 0.25300 0.46400 1.00000 0.03500
Ag 0.29100 0.04400 -0.01000 1.00000 0.11000
S 0.39000 0.11400 0.46800 1.00000 0.03800
Cl 0.38300 0.35500 0.03100 0.82000 0.11000
Br 0.38300 0.35500 0.03100 0.18000 0.11000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001444
