#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/75/1537589.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_1537589
loop_
_publ_author_name
'Linke, K.H.'
'Lemmer, F.'
_publ_section_title
;
 Roentgenographische Cristallstrukturanalyse von Schwefeldicyanid
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              203
_journal_page_last               210
_journal_volume                  345
_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                   8.6
_cell_length_b                   6.85
_cell_length_c                   12.8
_cell_volume                     754.048
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Linke_ZAACAB_1966_780.cif
_cod_data_source_block           C2N2S1
_cod_original_formula_sum        'C2 N2 S1'
_cod_database_code               1537589
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
N1 N-3 0.19 0.522 0.115 1 0.0
C1 C+2 0.127 0.396 0.115 1 0.0
C2 C+2 -0.202 0.306 0.143 1 0.0
S1 S+2 0.01 0.167 0.124 1 0.0
N2 N-3 -0.339 0.292 0.126 1 0.0
