#------------------------------------------------------------------------------
#$Date: 2015-07-11 17:28:09 +0300 (Sat, 11 Jul 2015) $
#$Revision: 145285 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/45/1524508.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_1524508
loop_
_publ_author_name
'Hauge, S.'
_publ_section_title
;
 Refinements of the crystal structures of selenium dithiocyanate and
 selenium diselenocyanate
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              313
_journal_page_last               316
_journal_volume                  33
_journal_year                    1979
_chemical_formula_sum            'C2 N2 Se3'
_chemical_name_systematic        'Se (Se C N)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1397
_cell_length_b                   13.4514
_cell_length_c                   4.5139
_cell_volume                     615.665
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Hauge_ACAPCT_1979_446.cif
_cod_data_source_block           C2N2Se3
_cod_database_code               1524508
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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+4 0.292 0.1056 0.4852 1 0.0
Se2 Se-2 0.4423 0.11422 0.2536 1 0.0
N1 N-3 0.1974 0.0985 0.6159 1 0.0
Se1 Se+2 0.53707 0.25 0.4953 1 0.0
