#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/50/93/1509393.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_1509393
loop_
_publ_author_name
'Hoyer, M.'
'Hartl, H.'
_publ_section_title
;
 Die Kristallstrukturen von Tl2 Ag I3 und Na Ag I2 . 3H2 O
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              308
_journal_page_last               312
_journal_paper_doi               10.1002/zaac.19966220217
_journal_volume                  622
_journal_year                    1996
_chemical_formula_sum            'Ag I3 Tl2'
_chemical_name_systematic        'Tl2 (Ag I3)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   10.443
_cell_length_b                   10.443
_cell_length_c                   19.935
_cell_volume                     1882.771
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            silver1-2_333.cif
_cod_data_source_block           Ag1I3Tl2
_cod_original_formula_sum        'Ag1 I3 Tl2'
_cod_database_code               1509393
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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 0 0 1 0.0
I2 I-1 0 0 0.2975 1 0.0
I1 I-1 0.2457 0.2434 0.09041 1 0.0
Ag2 Ag+1 0 0 0.1586 1 0.0
I3 I-1 0 0 0.5 1 0.0
Tl1 Tl+1 0.0391 0.2997 0.40878 1 0.0
