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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/76/9017637.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_9017637
loop_
_publ_author_name
'Biagioni, C.'
'Bonaccorsi, E.'
'Moelo, Y.'
'Orlandi, P.'
'Bindi, L.'
'D'Orazio M'
'Vezzoni, S.'
_publ_section_title
;
 Mercury-arsenic sulfosalts from the Apuan Alps (Tuscany, Italy).
 II. Arsiccioite, AgHg2TlAs2S6, a new mineral from the Monte Arsiccio mine:
 occurrence, crystal structure and crystal chemistry of the routhierite isotypic series
 Note: sample A
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              101
_journal_page_last               117
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'Monte Arsiccio mine, Apuan Alps, Tuscany, Italy'
_chemical_formula_sum
'Ag0.88 As1.58 Cu0.13 Hg1.91 S6 Sb0.42 Tl1.64 Zn0.08'
_chemical_name_mineral           Arsiccioite
_space_group_IT_number           121
_space_group_name_Hall           'I -4 2'
_space_group_name_H-M_alt        'I -4 2 m'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.1386
_cell_length_b                   10.1386
_cell_length_c                   11.3441
_cell_formula_units_Z            4
_cell_volume                     1166.074
_database_code_amcsd             0020024
_exptl_crystal_density_diffrn    6.771
_cod_data_source_file            inputs/fixed/downloads/18/18544.cif
_cod_data_source_block           18544
_cod_original_formula_sum
'Tl1.64 Hg1.91 Ag.88 Cu.13 Zn.08 (As1.58 Sb.42) S6'
_cod_database_code               9017637
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
-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
x,-y,-z
1/2+x,1/2-y,1/2-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
Tl1 0.00000 0.00000 0.34500 0.36000 0.04300
Tl2 0.02600 -0.02600 0.35880 0.64000 0.04300
HgM1 0.00000 0.50000 0.75000 0.65000 0.03960
AgM1 0.00000 0.50000 0.75000 0.14000 0.03960
CuM1 0.00000 0.50000 0.75000 0.13000 0.03960
ZnM1 0.00000 0.50000 0.75000 0.08000 0.03960
HgM2 0.22008 0.50000 0.50000 0.63000 0.03390
AgM2 0.22008 0.50000 0.50000 0.37000 0.03390
As 0.25816 0.25816 0.25354 0.79000 0.02250
Sb 0.25816 0.25816 0.25354 0.21000 0.02250
S1 0.09490 0.32840 0.37970 1.00000 0.02440
S2 0.12320 0.12320 0.14280 1.00000 0.02200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020024
