#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/20/9012091.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_9012091
loop_
_publ_author_name
'Morimoto, N.'
_publ_section_title
;
 The crystal structure of orpiment (As2S3) refined
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              160
_journal_page_last               169
_journal_paper_doi               10.2465/minerj1953.1.160
_journal_volume                  1
_journal_year                    1954
_chemical_compound_source        'Saimoku, Japan'
_chemical_formula_sum            'As2 S3'
_chemical_name_mineral           Orpiment
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.5
_cell_angle_gamma                90
_cell_length_a                   11.46
_cell_length_b                   9.57
_cell_length_c                   4.22
_cell_formula_units_Z            4
_cell_volume                     462.799
_database_code_amcsd             0014411
_exptl_crystal_density_diffrn    3.531
_cod_database_code               9012091
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As1 0.26700 0.19000 0.14300
As2 0.48400 0.32300 0.64300
S1 0.39500 0.12000 0.50000
S2 0.35500 0.39700 0.01300
S3 0.12500 0.29300 0.41000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014411
