#------------------------------------------------------------------------------
#$Date: 2023-03-27 08:00:38 +0100 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/77/9017706.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_9017706
loop_
_publ_author_name
'Bindi, L.'
'Biagioni, C.'
'Raber, T.'
'Roth, T.'
'Nestola, F.'
_publ_section_title
;
 Ralphcannonite, AgZn2TlAs2S6, a new mineral of the routhierite isotypic
 series from Lengenbach, Binn Valley, Switzerland
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1089
_journal_page_last               1098
_journal_volume                  79
_journal_year                    2015
_chemical_compound_source
'Lengenbach quarry, Binn Valley, Wallis, Switzerland'
_chemical_formula_sum
'Ag0.634 As1.99 Cu0.249 Fe0.468 Hg0.318 S6 Sb0.01 Tl Zn1.331'
_chemical_name_mineral           Ralphcannonite
_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                   9.861
_cell_length_b                   9.861
_cell_length_c                   11.125
_cell_volume                     1081.787
_database_code_amcsd             0020618
_exptl_crystal_density_diffrn    4.963
_cod_data_source_file            inputs/fixed/downloads/18/18613.cif
_cod_data_source_block           18613
_cod_original_formula_sum
'Ag.634 Zn1.331 Fe.468 Hg.318 Cu.249 Tl (As1.99 Sb.01) S6'
_cod_database_code               9017706
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
AgM2 0.22280 0.50000 0.50000 0.31700 0.04050
ZnM2 0.22280 0.50000 0.50000 0.29000 0.04050
FeM2 0.22280 0.50000 0.50000 0.23400 0.04050
HgM2 0.22280 0.50000 0.50000 0.15900 0.04050
ZnM1 0.00000 0.50000 0.25000 0.75100 0.03340
CuM1 0.00000 0.50000 0.25000 0.24900 0.03340
Tl 0.00000 0.00000 0.35240 1.00000 0.04130
As 0.26110 0.26110 0.25870 0.99500 0.04000
Sb 0.26110 0.26110 0.25870 0.00500 0.04000
S1 0.09430 0.33080 0.37430 1.00000 0.03700
S2 0.12570 0.12570 0.12950 1.00000 0.04000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020618