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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/76/1527607.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_1527607
loop_
_publ_author_name
'Kabesova, M.'
'Dunaj-Jurco, M.'
'Serator, M.'
'Gazo, J.'
_publ_section_title
;
 Crystal structure of copper(I) thiocyanate and its relation to the
 crystal structure of copper(II) diammine dithiocyanate complex
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              161
_journal_page_last               165
_journal_volume                  17
_journal_year                    1976
_chemical_formula_sum            'C Cu N S'
_chemical_name_systematic        'Cu (S C N)'
_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                   10.994
_cell_length_b                   7.224
_cell_length_c                   6.662
_cell_volume                     529.100
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Kabesova_ICHAA3_1976_716.cif
_cod_data_source_block           C1Cu1N1S1
_cod_original_cell_volume        529.1005
_cod_original_formula_sum        'C1 Cu1 N1 S1'
_cod_database_code               1527607
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
Cu1 Cu+1 0.18428 0.1564 0.13598 1 0.0
S1 S-2 0.78357 0.3839 0.17407 1 0.0
C1 C+4 0.92453 0.29429 0.1392 1 0.0
N1 N-3 0.01656 0.2321 0.1176 1 0.0
