#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/76/9017601.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_9017601
loop_
_publ_author_name
'Bindi, L.'
'Carbone, C.'
'Belmonte, D.'
'Cabella, R.'
'Bracco, R.'
_publ_section_title
;
 Weissite from Gambatesa mine, Val Graveglia, Liguria, Italy:
 occurrence, composition and determination of the crystal structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              475
_journal_page_last               483
_journal_volume                  77
_journal_year                    2013
_chemical_compound_source        'Gambatesa mine, Val Graveglia, Liguria, Italy'
_chemical_formula_sum            'Cu42.51 Te17'
_chemical_name_mineral           Weissite
_space_group_IT_number           156
_space_group_name_Hall           'P 3 -2"'
_space_group_name_H-M_alt        'P 3 m 1'
_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                   8.3124
_cell_length_b                   8.3124
_cell_length_c                   21.546
_cell_formula_units_Z            1
_cell_volume                     1289.289
_database_code_amcsd             0020112
_exptl_crystal_density_diffrn    6.273
_cod_data_source_file            inputs/fixed/downloads/18/18507.cif
_cod_data_source_block           18507
_cod_database_code               9017601
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 0.49900 -0.49900 0.00100 0.17000 0.03700
Cu2 0.66667 0.33333 0.04543 1.00000 0.03400
Cu3 0.83530 -0.83530 0.06099 1.00000 0.04060
Cu4 0.33333 0.66667 0.06224 1.00000 0.03310
Cu5 0.00000 0.00000 0.22505 1.00000 0.03290
Cu6 0.49610 -0.49610 0.22469 1.00000 0.05020
Cu7 0.16200 -0.16200 0.25400 0.50000 0.05110
Cu8 0.82500 -0.82500 0.27024 1.00000 0.04980
Cu9 0.33333 0.66667 0.27094 1.00000 0.03230
Cu10 0.00000 0.00000 0.32724 1.00000 0.03300
Cu11 0.66667 0.33333 0.36849 1.00000 0.03220
Cu12 0.83100 -0.83100 0.49910 0.50000 0.03910
Cu13 0.16002 -0.16002 0.61992 1.00000 0.03990
Cu14 0.00000 0.00000 0.67195 1.00000 0.03310
Cu15 0.49540 -0.49540 0.67486 1.00000 0.05060
Cu16 0.66667 0.33333 0.69743 1.00000 0.03240
Cu17 0.83500 -0.83500 0.73079 1.00000 0.05060
Cu18 0.33333 0.66667 0.73189 1.00000 0.03270
Cu19 0.00000 0.00000 0.77790 1.00000 0.03290
Cu20 0.50490 -0.50490 0.77890 1.00000 0.05080
Cu21 0.16310 -0.16310 0.93206 1.00000 0.05010
Cu22 0.82801 -0.82801 0.93880 1.00000 0.03030
Cu23 0.33333 0.66667 0.93969 1.00000 0.03340
Cu24 0.00000 0.00000 0.99832 1.00000 0.03390
Te1 0.00000 0.00000 0.11395 1.00000 0.03310
Te2 0.50500 -0.50500 0.11514 1.00000 0.04030
Te3 0.83502 -0.83502 0.39005 1.00000 0.04050
Te4 0.33333 0.66667 0.39199 1.00000 0.03290
Te5 0.00000 0.00000 0.44201 1.00000 0.03300
Te6 0.50499 -0.50499 0.44207 1.00000 0.04080
Te7 0.49705 -0.49705 0.55693 1.00000 0.05070
Te8 0.00000 0.00000 0.55787 1.00000 0.03310
Te9 0.33333 0.66667 0.60892 1.00000 0.03360
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020112
