#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/22/9012202.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_9012202
loop_
_publ_author_name
'Pertlik, F.'
_publ_section_title
;Hydrothermal synthesis and crystal structure determination of
 heptasilver(I)-disulfur-tetrathioarsenate(V), Ag7S2(AsS4), with a survey on
 thioarsenate anions Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              170
_journal_page_last               175
_journal_paper_doi               10.1006/jssc.1994.1282
_journal_volume                  112
_journal_year                    1994
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag7 As S6'
_chemical_name_mineral           Billingsleyite
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.475
_cell_length_b                   10.475
_cell_length_c                   10.475
_cell_formula_units_Z            4
_cell_volume                     1149.376
_database_code_amcsd             0013828
_exptl_crystal_density_diffrn    5.908
_cod_database_code               9012202
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-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
Ag1 0.04740 0.04740 0.04740 -0.01360 -0.01360 -0.01360
Ag2 0.06000 0.02850 0.05830 0.00270 -0.03120 -0.00500
Ag3 0.04950 0.03290 0.05460 0.00010 0.00150 0.00480
As 0.01410 0.01410 0.01410 0.00000 0.00000 0.00000
S1 0.02400 0.02400 0.02400 -0.00030 -0.00030 -0.00030
S2 0.02460 0.02460 0.02460 -0.00310 -0.00310 -0.00310
S3 0.02190 0.02190 0.02190 -0.00330 -0.00330 -0.00330
S4 0.02050 0.01760 0.02240 0.00190 -0.00230 0.00170
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 0.39600 0.39600 0.39600
Ag2 0.23150 0.02330 0.25900
Ag3 0.34660 0.82460 0.98490
As 0.99730 0.99730 0.99730
S1 0.52980 0.52980 0.52980
S2 0.87640 0.87640 0.87640
S3 0.26320 0.26320 0.26320
S4 0.12210 0.87340 0.10750
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013828
