#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011861.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_9011861
loop_
_publ_author_name
'Baranova, R. V.'
'Avilov, A. S.'
'Pinsker, Z. G.'
_publ_section_title
;
 Determination of the crystal structure of the hexagonal phase betaIII
 in the copper-tellurium system by electron diffraction
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              736
_journal_page_last               740
_journal_volume                  18
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu1.812 Te'
_chemical_name_mineral           Weissite
_space_group_IT_number           156
_symmetry_space_group_name_Hall  'P 3 -2"'
_symmetry_space_group_name_H-M   'P 3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.37
_cell_length_b                   8.37
_cell_length_c                   21.6
_cell_formula_units_Z            24
_cell_volume                     1310.495
_database_code_amcsd             0015565
_exptl_crystal_density_diffrn    7.383
_cod_database_code               9011861
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
-y,x-y,z
x,x-y,z
-x+y,-x,z
-x+y,y,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
Cu1 0.50000 -0.50000 0.00000 0.50000 0.02533
Cu2 0.66667 0.33333 0.04500 1.00000 0.02533
Cu3 0.83500 -0.83500 0.06100 1.00000 0.02533
Cu4 0.33333 0.66667 0.06200 1.00000 0.02533
Cu5 0.00000 0.00000 0.22500 1.00000 0.02533
Cu6 0.49600 -0.49600 0.22500 1.00000 0.02533
Cu7 0.16200 -0.16200 0.25400 0.50000 0.02533
Cu8 0.82500 -0.82500 0.27000 1.00000 0.02533
Cu9 0.33333 0.66667 0.27100 1.00000 0.02533
Cu10 0.00000 0.00000 0.32700 1.00000 0.02533
Cu11 0.66667 0.33333 0.36800 1.00000 0.02533
Cu12 0.83000 -0.83000 0.49900 0.50000 0.02533
Cu13 0.16000 -0.16000 0.62000 1.00000 0.02533
Cu14 0.00000 0.00000 0.67200 1.00000 0.02533
Cu15 0.49500 -0.49500 0.67500 1.00000 0.02533
Cu16 0.66667 0.33333 0.69700 1.00000 0.02533
Cu17 0.83500 -0.83500 0.73100 1.00000 0.02533
Cu18 0.33333 0.66667 0.73200 1.00000 0.02533
Cu19 0.00000 0.00000 0.77800 1.00000 0.02533
Cu20 0.50500 -0.50500 0.77900 1.00000 0.02533
Cu21 0.16300 -0.16300 0.93200 1.00000 0.02533
Cu22 0.82800 -0.82800 0.93900 1.00000 0.02533
Cu23 0.33333 0.66667 0.94000 1.00000 0.02533
Cu24 0.00000 0.00000 0.99800 1.00000 0.02533
Te1 0.00000 0.00000 0.11400 1.00000 0.02533
Te2 0.50500 -0.50500 0.11500 1.00000 0.02533
Te3 0.83500 -0.83500 0.39000 1.00000 0.02533
Te4 0.33333 0.66667 0.39200 1.00000 0.02533
Te5 0.00000 0.00000 0.44200 1.00000 0.02533
Te6 0.50500 -0.50500 0.44200 1.00000 0.02533
Te7 0.49700 -0.49700 0.55700 1.00000 0.02533
Te8 0.00000 0.00000 0.55800 1.00000 0.02533
Te9 0.33333 0.66667 0.60900 1.00000 0.02533
Te10 0.82500 -0.82500 0.60900 1.00000 0.02533
Te11 0.49500 -0.49500 0.88400 1.00000 0.02533
Te12 0.00000 0.00000 0.88500 1.00000 0.02533
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015565
