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#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/72/9007243.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_9007243
loop_
_publ_author_name
'Lundegaard, L. F.'
'Miletich, R.'
'Balic-Zunic T'
'Makovicky, E.'
_publ_section_title
;
 Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
 Sample: Romania, P = 2.118 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              463
_journal_page_last               468
_journal_volume                  30
_journal_year                    2003
_chemical_formula_sum            'S3 Sb2'
_chemical_name_mineral           Stibnite
_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                   10.959
_cell_length_b                   3.8060
_cell_length_c                   10.983
_cell_volume                     458.100
_diffrn_ambient_pressure         2.118e+06
_exptl_crystal_density_diffrn    4.925
_[local]_cod_chemical_formula_sum_orig 'Sb2 S3'
_cod_database_code               9007243
loop_
_symmetry_equiv_pos_as_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
_atom_site_U_iso_or_equiv
Sb1 0.02230 0.25000 0.67400 0.01510
Sb2 0.34580 0.25000 0.46360 0.01210
S1 0.05060 0.25000 0.12540 0.01130
S2 0.37360 0.25000 0.06070 0.01300
S3 0.21130 0.25000 0.80560 0.01340