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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/98/1509856.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_1509856
loop_
_publ_author_name
'Kanatzidis, M.G.'
'Chou Junhong'
_publ_section_title
;
 Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9,
 and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates
 from solvento-thermal synthesis
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              186
_journal_page_last               201
_journal_paper_doi               10.1006/jssc.1996.0375
_journal_volume                  127
_journal_year                    1996
_chemical_formula_sum            'Ag3 As2 K S5'
_chemical_name_systematic        'K (Ag3 As2 S5)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.21
_cell_length_b                   16.867
_cell_length_c                   6.3491
_cell_volume                     2057.204
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            silver3-x_13.cif
_cod_data_source_block           Ag3As2K1S5
_cod_original_formula_sum        'Ag3 As2 K1 S5'
_cod_database_code               1509856
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
S4 S-2 0.5232 0.3456 0.579 1 0.0
As3 As+3 0.6069 0.25 0.5118 1 0.0
S2 S-2 0.8151 0.3558 0.209 1 0.0
As1 As+3 0.787 0.25 0.4088 1 0.0
K1 K+1 0.4786 0.3776 0.0894 1 0.0
S3 S-2 0.6071 0.4913 0.256 1 0.0
As2 As+3 0.5884 0.4603 0.595 1 0.0
Ag3 Ag+1 0.8572 0.3669 0.8395 1 0.0
Ag2 Ag+1 0.7332 0.5239 -0.0909 1 0.0
S6 S-2 0.6068 0.25 0.161 1 0.0
Ag1 Ag+1 0.6851 0.369 0.0892 1 0.0
S1 S-2 0.3806 0.25 0.881 1 0.0
S5 S-2 0.6914 0.4075 0.689 1 0.0
