#------------------------------------------------------------------------------
#$Date: 2023-03-26 10:09:57 +0200 (Sun 26 de Mar de 2023) $
#$Revision: 282068 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310540.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310540
loop_
_publ_author_name
'Carron, G.J.'
_publ_section_title
;
 The crystal structure and powder data for arsenic telluride
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              338
_journal_page_last               343
_journal_volume                  16
_journal_year                    1963
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Te3'
_chemical_name_mineral           Kalgoorlieite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.339
_cell_length_b                   4.006
_cell_length_c                   9.873
_cell_volume                     564.967
_citation_journal_id_ASTM        ACCRA9
_database_code_amcsd             0020521
_exptl_crystal_density_diffrn    6.262
_cod_data_source_file            Carron_ACCRA9_1963_1906.cif
_cod_data_source_block           As2Te3
_cod_original_cell_volume        564.9671
_cod_database_code               2310540
loop_
_space_group_symop_operation_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Te3 Te-2 0.375 0 0.034 1 0.0
Te2 Te-2 0.28 0.5 0.337 1 0.0
As1 As+3 0.115 0.5 0.445 1 0.0
Te1 Te-2 0.032 0 0.282 1 0.0
As2 As+3 0.205 0 0.145 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020521
