#------------------------------------------------------------------------------
#$Date: 2023-03-27 10:00:38 +0300 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/74/9017458.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_9017458
loop_
_publ_author_name
'Kirkinskii, V. A.'
'Yakushev, V. G.'
_publ_section_title
;
 A new polymorphic modification of arsenic selenide obtained at high presssures
;
_journal_name_full               'Doklady Chemistry'
_journal_page_first              896
_journal_page_last               898
_journal_volume                  182
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Se3'
_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
_cell_angle_gamma                90
_cell_length_a                   13.37
_cell_length_b                   3.73
_cell_length_c                   9.31
_cell_volume                     462.524
_database_code_amcsd             0020525
_exptl_crystal_density_diffrn    5.554
_cod_data_source_file            inputs/fixed/downloads/15/15023.cif
_cod_data_source_block           15023
_cod_database_code               9017458
_amcsd_formula_title             As2Se3
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 0.20500 0.00000 0.14500
As2 0.11500 0.50000 0.44500
Se1 0.03200 0.00000 0.28200
Se2 0.28000 0.50000 0.33700
Se3 0.37500 0.00000 0.03400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020525
