#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/57/1525715.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_1525715
loop_
_publ_author_name
'Brodersen, K.'
'Thiele, G.'
'Goerz, G.'
_publ_section_title
;
 Untersuchungen zur Struktur von Thallium(I)-halogeno-mercuraten(II)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              217
_journal_page_last               226
_journal_volume                  401
_journal_year                    1973
_chemical_formula_sum            'Br6 Hg Tl4'
_chemical_name_systematic        'Tl4 (Hg Br6)'
_space_group_IT_number           128
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.978
_cell_length_b                   8.978
_cell_length_c                   8.812
_cell_volume                     710.287
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Brodersen_ZAACAB_1973_1225.cif
_cod_data_source_block           Br6Hg1Tl4
_cod_original_cell_volume        710.2867
_cod_original_formula_sum        'Br6 Hg1 Tl4'
_cod_database_code               1525715
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x-1/2,y-1/2,z-1/2
-y-1/2,-x-1/2,z-1/2
x-1/2,-y-1/2,z-1/2
y-1/2,x-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
Br2 Br-1 0.3178 0.1394 0 1 0.0
Hg1 Hg+2 0 0 0 1 0.0
Br1 Br-1 0 0 0.288 1 0.0
Tl1 Tl+1 0.1478 0.3522 0.25 1 0.0
