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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/30/05/2300518.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2300518
loop_
_publ_author_name
'Olsen, J.S.'
'Johnson, E.'
'Geward, L.'
'Steenstrup, S.'
_publ_section_title
;
 A high-pressure study of thallium
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              1002
_journal_page_last               1005
_journal_volume                  27
_journal_year                    1994
_chemical_formula_sum            Tl
_chemical_name_systematic        Tl
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.463
_cell_length_b                   3.463
_cell_length_c                   5.539
_cell_volume                     57.526
_citation_journal_id_ASTM        JACGAR
_cod_data_source_file            Olsen_JACGAR_1994_532.cif
_cod_data_source_block           Tl1
_cod_original_cell_volume        57.52637
_cod_original_formula_sum        Tl1
_cod_database_code               2300518
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,z
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
Tl1 Tl 0.3333 0.6667 0.25 1 0.0