#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/10/9011023.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_9011023
loop_
_publ_author_name
'Geller, S.'
'Wernick, J. H.'
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag Bi Se2'
_chemical_name_mineral           Bohdanowiczite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_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                   4.18
_cell_length_b                   4.18
_cell_length_c                   19.67
_cell_formula_units_Z            3
_cell_volume                     297.637
_database_code_amcsd             0009217
_exptl_crystal_density_diffrn    7.946
_cod_database_code               9011023
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
-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_U_iso_or_equiv
Ag1 0.00000 0.00000 0.00000 0.00633
Bi1 0.00000 0.00000 0.50000 0.00633
Ag2 0.33333 0.66667 -0.32800 0.00633
Bi2 0.33333 0.66667 0.16300 0.00633
Se1 0.00000 0.00000 0.25300 0.00633
Se2 0.33333 0.66667 -0.07400 0.00633
Se3 0.33333 0.66667 0.40600 0.00633
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009217
