#------------------------------------------------------------------------------
#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/11/1011154.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1011154
loop_
_publ_author_name
'Hofmann, W.'
_publ_section_title
;
 Die struktur der minerale der animonitgruppe
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              225
_journal_page_last               245
_journal_volume                  86
_journal_year                    1933
_chemical_compound_source        'from Rezbanya'
_chemical_formula_structural     'Sb2 S3'
_chemical_formula_sum            'S3 Sb2'
_chemical_name_mineral           Stibnite
_chemical_name_systematic        'Antimony trisulfide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.20(2)
_cell_length_b                   11.28(2)
_cell_length_c                   3.83(1)
_cell_volume                     483.9
_database_code_amcsd             0010513
_exptl_crystal_density_diffrn    4.663
_exptl_crystal_density_meas      4.66
_cod_database_code               1011154
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2+y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,-z
-x,-y,-z
1/2+x,1/2-y,1/2+z
x,y,1/2-z
1/2-x,1/2+y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Sb1 Sb3+ 4 c 0.328(2) 0.031(2) 0.25 1. 0 d
Sb2 Sb3+ 4 c 0.039(2) 0.149(2) 0.75 1. 0 d
S1 S2- 4 c 0.883(6) 0.047(6) 0.25 1. 0 d
S2 S2- 4 c 0.439(6) 0.125(6) 0.75 1. 0 d
S3 S2- 4 c 0.194(6) 0.208(6) 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sb3+ 3.000
S2- -2.000