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#$Date: 2016-01-01 14:15:00 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172261 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/73/2107322.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2107322
loop_
_publ_author_name
'Toffoli, P.'
'Khodadad, P.'
'Rodier, N.'
_publ_section_title
;
 Structure du tetrathiomonophosphate(V) heptathiodiphosphate(V) d'argent
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2374
_journal_page_last               2378
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Ag7.17 P3 S11'
_chemical_name_systematic        'Ag7 P3 S11'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.85
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.97
_cell_length_b                   6.361
_cell_length_c                   24.88
_cell_volume                     3545.115
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Toffoli_ACBCAR_1982_295.cif
_cod_data_source_block           Ag7.17P3S11
_cod_database_code               2107322
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S3 S 0.3338 0.3812 0.2205 1 0.0
Ag4 Ag 0.425 0.825 0.731 0.05 0.0
Ag1 Ag 0.1746 0.7115 0.1905 1 0.0
P1 P 0.5077 0.7862 0.6061 1 0.0
S5 S 0.4899 0.0971 0.5883 1 0.0
S1 S 0.5849 0.6928 0.5977 1 0.0
S6 S 0.4503 0.6049 0.5377 1 0.0
Ag12 Ag 0.26 0.4587 0.5724 0.91 0.0
S11 S 0.3317 0.8117 0.2959 1 0.0
Ag5 Ag 0.251 0.67 0.312 0.04 0.0
P2 P 0.3575 0.6746 0.5169 1 0.0
Ag13 Ag 0.4068 0.7803 0.6829 0.99 0.0
P3 P 0.3337 0.7041 0.2196 1 0.0
Ag3 Ag 0.08 0.84 0.871 0.05 0.0
S10 S 0.2599 0.8 0.152 1 0.0
Ag14 Ag 0.234 0.84 0.386 0.06 0.0
Ag2 Ag 0.059 0.82 0.653 0.09 0.0
S8 S 0.3369 0.434 0.4405 1 0.0
Ag10 Ag 0.2558 0.6792 0.3456 0.87 0.0
Ag7 Ag 0.4124 0.6958 0.3881 0.76 0.0
Ag8 Ag 0.3859 0.7818 0.1017 0.85 0.0
Ag6 Ag 0.34 0.75 0.094 0.03 0.0
Ag9 Ag 0.4779 0.6899 0.313 0.71 0.0
S9 S 0.3214 0.3822 0.5067 1 0.0
S4 S 0.5064 0.6935 0.6829 1 0.0
S2 S 0.4105 0.8098 0.2096 1 0.0
S7 S 0.3344 0.8398 0.5743 1 0.0
Ag11 Ag 0.5904 0.8641 0.5121 0.76 0.0
