#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/72/9007240.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_9007240
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 = 0.0001 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              463
_journal_page_last               468
_journal_paper_doi               10.1007/s00269-003-0339-x
_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                   11.299
_cell_length_b                   3.8313
_cell_length_c                   11.227
_cell_formula_units_Z            4
_cell_volume                     486.015
_database_code_amcsd             0008825
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    4.643
_cod_original_formula_sum        'Sb2 S3'
_cod_database_code               9007240
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
_atom_site_U_iso_or_equiv
Sb1 0.02900 0.25000 0.67380 0.01800
Sb2 0.35030 0.25000 0.46410 0.02180
S1 0.04930 0.25000 0.12260 0.01500
S2 0.37450 0.25000 0.06120 0.01520
S3 0.20770 0.25000 0.80710 0.01540
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008825
