#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310450.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310450
loop_
_publ_author_name
'Mootz, D.'
'Puhl, H.'
_publ_section_title
;
 Die Kristallstruktur von Sn2 S3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              471
_journal_page_last               476
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'S3 Sn2'
_chemical_name_systematic        'Sn (Sn S3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.864
_cell_length_b                   14.02
_cell_length_c                   3.747
_cell_volume                     465.652
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Mootz_ACCRA9_1967_1387.cif
_cod_data_source_block           S3Sn2
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_database_code               2310450
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S3 S-2 0.2861 0.2128 0.25 1 0.0
S1 S-2 -0.0211 0.1056 0.75 1 0.0
Sn1 Sn+4 0.1656 0.0518 0.25 1 0.0
Sn2 Sn+2 0.4852 0.1696 0.75 1 0.0
S2 S-2 0.3394 -0.0028 0.75 1 0.0
