#------------------------------------------------------------------------------
#$Date: 2013-04-29 23:43:29 +0300 (Mon, 29 Apr 2013) $
#$Revision: 82668 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/96/1509676.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_1509676
loop_
_publ_author_name
'Bensch, W.'
'Wu Yuandong'
_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_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Ag2 Nb P2 S8'
_chemical_name_systematic        'Ag2 Nb (P2 S6) S2'
_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                   12.2188
_cell_length_b                   26.3725
_cell_length_c                   6.7517
_cell_volume                     2175.670
_citation_journal_id_ASTM        JSSCBI
_[local]_cod_data_source_file    silver2-3_135.cif
_[local]_cod_data_source_block   Ag2Nb1P2S8
_[local]_cod_chemical_formula_sum_orig 'Ag2 Nb1 P2 S8'
_cod_original_cell_volume        2175.67
_cod_database_code               1509676
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
Ag1 Ag+1 0.08482 0.05458 0.01326 1 0.0
Ag2 Ag+1 0.14926 0.04371 0.5078 1 0.0
P2 P+4 0.34241 0.10707 0.1257 1 0.0
S3 S-2 0.2434 0.62128 0.1479 1 0.0
S8 S-1 0.2002 0.25 0.4996 1 0.0
P1 P+4 0.1068 0.60636 0.3074 1 0.0
S10 S-1 0.4388 0.25 0.1957 1 0.0
S5 S-2 0.2654 0.03929 0.1737 1 0.0
S1 S-2 0.00499 0.66453 0.251 1 0.0
Nb1 Nb+4 0.36746 0.19556 0.46668 1 0.0
S7 S-1 0.0351 0.25 0.0604 1 0.0
S4 S-2 0.24167 0.16593 0.1764 1 0.0
S9 S-1 0.2977 0.25 0.7404 1 0.0
S2 S-2 0.03093 0.53747 0.2804 1 0.0
S6 S-2 0.48122 0.12282 0.2765 1 0.0