#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/70/9007050.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_9007050
loop_
_publ_author_name
'Kyono, A.'
'Kimata, M.'
'Matsuhisa, M.'
'Miyashita, Y.'
'Okamoto, K.'
_publ_section_title
;
 Low-temperature crystal structures of stibnite implying orbital
 overlap of Sb 5s2 inert pair electrons
 Sample: T = 225 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              254
_journal_page_last               260
_journal_paper_doi               10.1007/s00269-001-0227-1
_journal_volume                  29
_journal_year                    2002
_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                   11.305
_cell_length_b                   3.836
_cell_length_c                   11.223
_cell_formula_units_Z            4
_cell_volume                     486.696
_database_code_amcsd             0008635
_diffrn_ambient_temperature      225
_exptl_crystal_density_diffrn    4.636
_cod_original_formula_sum        'Sb2 S3'
_cod_database_code               9007050
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 0.47062 0.25000 0.32590 0.01144
Sb2 0.35053 0.75000 0.03570 0.01468
S1 0.29213 0.25000 0.19180 0.01140
S2 0.54985 0.75000 0.12300 0.01140
S3 0.37490 0.75000 0.43870 0.01140
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008635
