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#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009759.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9009759
loop_
_publ_author_name
'Eriksson, L.'
'Werner, P. E.'
'Berger, R.'
'Meerschaut, A.'
_publ_section_title
;
 Structure refinement of TlCu7Se4 from X-ray powder profile data
 Locality: Skrikerum mine, Sweden
 Sample: Single crystal
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              61
_journal_page_last               68
_journal_volume                  90
_journal_year                    1991
_chemical_formula_sum            'Cu6.52 Se4 Tl'
_chemical_name_mineral           Crookesite
_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_length_a                   10.4445
_cell_length_b                   10.4445
_cell_length_c                   3.9378
_cell_volume                     429.565
_exptl_crystal_density_diffrn    7.225
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_12328'
_[local]_cod_chemical_formula_sum_orig 'Tl Cu6.52 Se4'
_cod_database_code               9009759
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Tl 0.00000 0.00000 0.00000 1.00000 0.04939
Cu1 0.02080 0.36800 0.00000 1.00000 0.04306
Cu2 0.32400 0.22000 0.00000 0.63000 0.04559
Se 0.24360 0.43090 0.00000 1.00000 0.03800