#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/14/4331403.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_4331403
loop_
_publ_author_name
'Wachhold, M.'
'Kanatzidis, M.G.'
_publ_section_title
;
 Rb Ag2 As3 Se6 : a unique three-dimensional silver-selenoarsenate
 framework 3/(infinite)(Ag2 As3 Se6)(-), assembled from (As3 Se6)(3-)
 rings and "Ag2(2+)" dumbbell units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4178
_journal_page_last               4180
_journal_paper_doi               10.1021/ic9905392
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'Ag2 As3 Rb Se6'
_chemical_name_systematic        'Rb (Ag2 As3 Se6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.728
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9401
_cell_length_b                   7.5714
_cell_length_c                   17.201
_cell_volume                     1294.451
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            silver2-3_6.cif
_cod_data_source_block           Ag2As3Rb1Se6
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ag2 As3 Rb1 Se6'
_cod_database_code               4331403
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
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
Se1 Se-2 0.3696 0.6951 0.2346 1 0.0
As1 As+3 0.5701 0.8724 0.2237 1 0.0
Se4 Se-2 0.6566 0.7523 0.1088 1 0.0
Ag2 Ag+1 0.9705 0.9621 0.4181 1 0.0
Se3 Se-2 0.4384 0.7021 0.4523 1 0.0
Se6 Se-2 0.3971 0.1984 0.1318 1 0.0
Ag1 Ag+1 0.8477 0.4885 0.4994 1 0.0
As2 As+3 0.63 0.8866 0.4199 1 0.0
Rb1 Rb+1 0.0078 0.818 0.1671 1 0.0
Se5 Se-2 0.7803 0.8115 0.5215 1 0.0
As3 As+3 0.3063 0.8505 0.3528 1 0.0
Se2 Se-2 0.721 0.7197 0.3133 1 0.0
