#------------------------------------------------------------------------------
#$Date: 2023-03-27 10:00:38 +0300 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/74/9017478.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_9017478
loop_
_publ_author_name
'Morin, C.'
'Corallini, S.'
'Carreaud, J.'
'Vaney, J. B.'
'Delaizir, G.'
'Crivello, J. C.'
'Lopes, E. B.'
'Piarristeguy, A.'
'Monnier, J.'
'Candolfi, C.'
'Nassif, V.'
'Cuello, G. J.'
'Pradel, A.'
'Goncalves, A. P.'
'Lenoir, B.'
'Alleno, E.'
_publ_section_title
;
 Polymorphism in thermoelectric As2Te3
 Note: T = 300 K
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9936
_journal_page_last               9947
_journal_volume                  54
_journal_year                    2015
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Te3'
_chemical_name_mineral           Kalgoorlieite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.06
_cell_angle_gamma                90
_cell_length_a                   14.337
_cell_length_b                   4.015
_cell_length_c                   9.887
_cell_volume                     566.908
_database_code_amcsd             0020524
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    6.241
_cod_data_source_file            inputs/fixed/downloads/15/15232.cif
_cod_data_source_block           15232
_cod_database_code               9017478
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As1 0.11290 0.50000 0.44040
As2 0.20100 0.00000 0.14080
Te1 0.02890 0.00000 0.28840
Te2 0.27800 0.50000 0.34060
Te3 0.37470 0.00000 0.03630
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020524
