#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/82/1528242.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_1528242
loop_
_publ_author_name
'Zandbergen, H.W.'
_publ_section_title
;
 Neutron powder diffraction on alpha-Tl4 Cr I6 and beta-Tl4 Cr I6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              239
_journal_page_last               245
_journal_volume                  38
_journal_year                    1981
_chemical_formula_sum            'Cr I6 Tl4'
_chemical_name_systematic        'Tl4 (Cr I6)'
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.941
_cell_length_b                   12.596
_cell_length_c                   9.602
_cell_volume                     1565.172
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Zandbergen_JSSCBI_1981_1490.cif
_cod_data_source_block           Cr1I6Tl4
_cod_original_formula_sum        'Cr1 I6 Tl4'
_cod_database_code               1528242
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z+1/2
-x,y,-z+1/2
-x,-y,-z
x,y,-z
-x,y,z-1/2
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z-1/2
x+1/2,-y+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
Cr1 Cr+2 0.25 0.25 0 1 0.0
Tl1 Tl+1 0.1406 0 0.25 1 0.0
I3 I-1 0.0191 0.1692 0 1 0.0
I1 I-1 0.25 0.25 0.2896 1 0.0
I2 I-1 0.3268 0.0345 0 1 0.0
Tl2 Tl+1 0 0.3524 0.25 1 0.0
