#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/13/1011330.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_1011330
loop_
_publ_author_name
'Oftedal, I'
_publ_section_title              'Die Kristallstruktur von Sn S2'
_journal_coden_ASTM              NOGTAO
_journal_name_full               'Norsk Geologisk Tidsskrift'
_journal_page_first              225
_journal_page_last               233
_journal_volume                  9
_journal_year                    1926
_chemical_formula_structural     'Sn S2'
_chemical_formula_sum            'S2 Sn'
_chemical_name_mineral           Berndtite
_chemical_name_systematic        'Tin(IV) sulfide'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.62
_cell_length_b                   3.62
_cell_length_c                   5.85
_cell_volume                     66.4
_cod_database_code               1011330
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,z
x,x-y,z
y-x,y,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
y,x,-z
-x,y-x,-z
x-y,-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
Sn1 Sn4+ 1 a 0. 0. 0. 1. 0 d
S1 S2- 2 d 0.3333 0.6667 0.25(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sn4+ 4.000
S2- -2.000
