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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/1/50/96/1509657.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_1509657
loop_
_publ_author_name
'Guo Guocong'
'Huang Jinshun'
'Zhou Guowei'
'Deng Lei'
'Dong Zhenchao'
'Ma Hongwei'
'Chen Wentong'
_publ_section_title
;
 Syntheses and crystal structures of new quaternary Ag-containing group 5
 chalcogenides: K Ag2 M(V) Se4 and K3 Ag3 M(V)2 S8 (M(V) = Nb, Ta)
;
_journal_name_full               'Bulletin of the Chemical Society of Japan'
_journal_page_first              505
_journal_page_last               509
_journal_paper_doi               10.1246/bcsj.77.505
_journal_volume                  77
_journal_year                    2004
_chemical_formula_sum            'Ag2 K Nb Se4'
_chemical_name_systematic        'Ag2 K (Nb Se4)'
_space_group_IT_number           40
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7413
_cell_length_b                   19.024
_cell_length_c                   5.6935
_cell_volume                     838.485
_citation_journal_id_ASTM        BCSJA8
_cod_data_source_file            silver2-3_112.cif
_cod_data_source_block           Ag2K1Nb1Se4
_cod_original_cell_volume        838.4846
_cod_original_formula_sum        'Ag2 K1 Nb1 Se4'
_cod_database_code               1509657
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y,z
x+1/2,-y,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
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
K1 K+1 0.25 0.181 -0.3605 1 0.0
Nb1 Nb+5 0.25 0.389633 0.38783 1 0.0
Se1 Se-2 0.25 0.49598 0.14412 1 0.0
Ag1 Ag+1 0.25 0.391315 -0.13601 1 0.0
Se2 Se-2 -0.00575 0.391 0.63572 1 0.0
Ag2 Ag+1 0 0.5 0.41155 1 0.0
Se3 Se-2 0.25 0.28761 0.1464 1 0.0
