#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/34/9013424.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_9013424
loop_
_publ_author_name
'Atabaeva, E. Y.'
'Mashkov, S. A.'
'Popova, S. V.'
_publ_section_title
;
 The crystal structure of a new modification of Bi2Se3-II
;
_journal_name_full               Kristallografiya
_journal_page_first              173
_journal_page_last               174
_journal_volume                  18
_journal_year                    1973
_chemical_compound_source        'Guanajuato, Mexico'
_chemical_formula_sum            'Bi2 Se3'
_chemical_name_mineral           Guanajuatite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.83
_cell_length_b                   4.09
_cell_length_c                   11.62
_cell_formula_units_Z            4
_cell_volume                     562.230
_database_code_amcsd             0014181
_exptl_crystal_density_diffrn    7.736
_cod_database_code               9013424
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bi1 0.01200 0.25000 0.32800
Bi2 0.34300 0.25000 0.53400
Se1 0.06700 0.25000 0.87600
Se2 0.87000 0.25000 0.55600
Se3 0.21300 0.25000 0.19300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014181
