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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/1/50/96/1509658.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_1509658
loop_
_publ_author_name
'Wu Yuandong'
'Bensch, W.'
_publ_section_title
;
 Syntheses, crystal structures and spectroscopic properties of Ag2 Nb [P2
 S6] [S2] and K Ag2 [P S4]
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              471
_journal_page_last               478
_journal_paper_doi               10.1016/j.jssc.2008.11.017
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Ag2 K P S4'
_chemical_name_systematic        'K Ag2 (P S4)'
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.6471
_cell_length_b                   6.6471
_cell_length_c                   8.1693
_cell_volume                     360.952
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            silver2-3_113.cif
_cod_data_source_block           Ag2K1P1S4
_cod_original_cell_volume        360.9518
_cod_original_formula_sum        'Ag2 K1 P1 S4'
_cod_database_code               1509658
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+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
K1 K+1 0 0 0.5 1 0.0
Ag1 Ag+1 0 0.5 0.25 1 0.0
P1 P+5 0 0 0 1 0.0
S1 S-2 0.18131 0.18131 0.1398 1 0.0
