#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/34/8103408.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_8103408
loop_
_publ_author_name
'Ibers, J.A.'
'Wu, P.'
_publ_section_title
;
 Synthesis and structure of Ba2 La Ag5 S6 and Ba2 Y Ag5 S6
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              35
_journal_page_last               41
_journal_volume                  208
_journal_year                    1993
_chemical_formula_sum            'Ag5 Ba2 La S6'
_chemical_name_systematic        'Ba2 La Ag5 S6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.81
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.909
_cell_length_b                   4.229
_cell_length_c                   11.213
_cell_volume                     657.239
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            silver3-x_195.cif
_cod_data_source_block           Ag5Ba2La1S6
_cod_original_cell_volume        657.2389
_cod_original_formula_sum        'Ag5 Ba2 La1 S6'
_cod_database_code               8103408
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
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
Ag1 Ag+1 0.01946 0 0.2546 1 0.0
Ag3 Ag+1 0 0 0 1 0.0
Ba1 Ba+2 0.25106 0 0.70761 1 0.0
La1 La+3 0 0.5 0.5 1 0.0
S2 S-2 0.157 0 0.1016 1 0.0
S1 S-2 0.1336 0 0.4485 1 0.0
Ag2 Ag+1 0.3505 0 0.03486 1 0.0
S3 S-2 0.4136 0 0.2563 1 0.0
