#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/97/1509783.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_1509783
loop_
_publ_author_name
'Chou Junhong'
'Kanatzidis, M.G.'
_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            'Ag2 As3 K5 Se9'
_chemical_name_systematic        'K5 (Ag2 As3 Se9)'
_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            4
_cell_length_a                   12.599
_cell_length_b                   12.607
_cell_length_c                   14.067
_cell_volume                     2234.340
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            silver2-3_5.cif
_cod_data_source_block           Ag2As3K5Se9
_cod_original_cell_volume        2234.34
_cod_database_code               1509783
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
Se4 Se-2 0.2853 0.8999 0.7974 1 0.0
Se3 Se-2 0.0358 0.0958 0.6494 1 0.0
Se1 Se-2 0.3547 0.75 0.5712 1 0.0
As1 As+5 0.2481 0.75 0.7051 1 0.0
Se2 Se-2 0.2825 0.25 0.8258 1 0.0
Ag1 Ag+1 0.2369 0.0892 0.7118 1 0.0
K2 K+1 0.9796 0.0801 0.1694 1 0.0
Se5 Se-2 0.0741 0.75 0.6552 1 0.0
As3 As+3 0.4835 0.25 0.601 1 0.0
K3 K+1 0.1707 0.25 0.4897 1 0.0
As2 As+3 -0.0365 0.25 0.7165 1 0.0
Se6 Se-2 0.3781 0.1025 0.5681 1 0.0
K1 K+1 0.1787 -0.0718 0.4961 1 0.0
