#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/03/2310375.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_2310375
loop_
_publ_author_name
'Emerson, K.'
_publ_section_title
;
 The Crystal and Molecular Structure of Sulfur Dicyanide
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              970
_journal_page_last               974
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'C2 N2 S'
_chemical_name_systematic        'S (C N)2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.56
_cell_length_b                   6.87
_cell_length_c                   12.84
_cell_volume                     755.084
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Emerson_ACCRA9_1966_1081.cif
_cod_data_source_block           C2N2S1
_cod_original_cell_volume        755.0845
_cod_original_formula_sum        'C2 N2 S1'
_cod_database_code               2310375
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,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
C1 C+2 0.1783 0.2594 0.1368 1 0.0
N2 N-3 -0.1673 0.5265 0.1023 1 0.0
N1 N-3 0.2992 0.3198 0.1427 1 0.0
S1 S+2 -0.0081 0.1642 0.1221 1 0.0
C2 C+2 -0.0999 0.3852 0.1092 1 0.0
