#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009759.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_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'
_[local]_cod_chemical_formula_sum_orig 'Tl Cu6.52 Se4'
_chemical_name_mineral           Crookesite
_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
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