#------------------------------------------------------------------------------
#$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/57/9015797.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_9015797
loop_
_publ_author_name
'Zoppi, M.'
'Pratesi, G.'
_publ_section_title
;
 The dual behavior of the beta-As4S4 altered by light
;
_journal_name_full               'American Mineralogist'
_journal_page_first              890
_journal_page_last               896
_journal_paper_doi               10.2138/am.2012.3968
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As S'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.520
_cell_angle_gamma                90
_cell_length_a                   9.967
_cell_length_b                   9.355
_cell_length_c                   8.921
_cell_volume                     812.025
_database_code_amcsd             0019017
_exptl_crystal_density_diffrn    3.501
_cod_database_code               9015797
_amcsd_formula_title             beta-As4S4
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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
_atom_site_U_iso_or_equiv
As1 0.00030 -0.20490 0.05530 0.04900
As2 -0.15790 -0.40370 0.13080 0.04200
S1 0.00000 -0.05990 0.25000 0.03200
S2 0.00000 -0.55010 0.25000 0.06100
S3 -0.20260 -0.30570 0.33770 0.03500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019017