#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/50/96/1509644.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_1509644
loop_
_publ_author_name
'Schleid, T.'
'Tiritiris, I.'
_publ_section_title
;
 The crystal structure of solvent-free silver
 dodecachloro-closo-dodecaborate Ag2 (B12 Cl12) from aqueous solution
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              581
_journal_page_last               583
_journal_paper_doi               10.1002/zaac.200390095
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Ag2 B12 Cl12'
_chemical_name_systematic        'Ag2 (B12 Cl12)'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.3832
_cell_length_b                   12.3832
_cell_length_c                   12.3832
_cell_volume                     1898.885
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            silver2-3_10.cif
_cod_data_source_block           Ag2B12Cl12
_cod_database_code               1509644
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
-z,-x,-y
z-1/2,x,-y-1/2
-z-1/2,x-1/2,y
z,-x-1/2,y-1/2
-y,-z,-x
-y-1/2,z-1/2,x
y,-z-1/2,x-1/2
y-1/2,z,-x-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
Cl1 Cl-1 0.0529 0.0596 0.2711 1 0.0
B2 B 0.0732 0.4332 0.4056 1 0.0
Cl2 Cl-1 0.1483 0.3674 0.3032 1 0.0
Ag1 Ag+1 0.36892 0.36892 0.36892 1 0.0
B1 B 0.0277 0.0317 0.1306 1 0.0
