#------------------------------------------------------------------------------
#$Date: 2015-07-13 02:26:16 +0300 (Mon, 13 Jul 2015) $
#$Revision: 148583 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/13/7221335.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_7221335
loop_
_publ_author_name
'Brodersen, K.'
'Jensen, K.P.'
'Thiele, G.'
_publ_section_title
;
 Die Kristallstruktur des Tl10 Hg3 Cl16
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              259
_journal_page_last               264
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'Cl16 Hg3 Tl10'
_chemical_name_systematic        'Tl10 Hg3 Cl16'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.49
_cell_length_b                   8.49
_cell_length_c                   23.729
_cell_volume                     1710.389
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Brodersen_ZNBAD2_1980_918.cif
_cod_data_source_block           Cl16Hg3Tl10
_cod_database_code               7221335
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-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+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
Cl1 Cl-1 0 0 0.0995 1 0.0
Cl3 Cl-1 0 0 0.3971 1 0.0
Hg1 Hg+2 0 0 0 1 0.0
Cl4 Cl-1 0.2404 0.1624 0.1865 1 0.0
Hg2 Hg+2 0 0.5 0.25 1 0.0
Tl2 Tl+1 0 0 0.2581 1 0.0
Cl2 Cl-1 0.3315 0.1526 0 1 0.0
Tl1 Tl+1 0.1689 0.3641 0.0896 1 0.0
