#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/99/1509986.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1509986
loop_
_publ_author_name
'Wang, N.'
_publ_section_title
;
 New data for Ag8 Sn S6 (canfieldite) and Ag8 Ge S6 (argyrodite)
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              269
_journal_page_last               272
_journal_volume                  1978
_journal_year                    1978
_chemical_formula_sum            'Ag8 S6 Sn'
_chemical_name_systematic        'Ag8 (Sn S4) S2'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.298
_cell_length_b                   7.548
_cell_length_c                   10.699
_cell_volume                     1235.406
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            silver3-x_293.cif
_cod_data_source_block           Ag8S6Sn1
_cod_original_formula_sum        'Ag8 S6 Sn1'
_cod_database_code               1509986
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z
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
Ag3 Ag+1 0.4323 0.0617 0.019 1 0.0
S5 S-2 0.3864 0.3131 0.8655 1 0.0
S6 S-2 0.1224 0.2668 0.6115 1 0.0
Ag2 Ag+1 0.0622 0.2257 0.8373 1 0.0
Ag5 Ag+1 0.4187 0.0908 0.6964 1 0.0
S2 S-2 -0.0046 0.27 0.232 1 0.0
S1 S-2 0.1225 0.49 0.975 1 0.0
Sn1 Sn+4 0.3757 0.2285 0.352 1 0.0
Ag7 Ag+1 0.0169 0.0104 0.6025 1 0.0
S4 S-2 0.2582 0.2335 0.23 1 0.0
S3 S-2 0.3726 0.4684 0.4766 1 0.0
Ag1 Ag+1 0.127 0.2231 0.3766 1 0.0
Ag4 Ag+1 0.2763 0.5 0.0822 1 0.0
Ag8 Ag+1 0.2588 0.1277 0.9059 1 0.0
Ag6 Ag+1 0.2727 0.3842 0.6874 1 0.0
