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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/87/1528715.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_1528715
loop_
_publ_author_name
'Manolatos, S.'
'Tillinger, M.'
'Post, B.'
_publ_section_title
;
 Polymorphism in cesium thiocyanate
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              31
_journal_page_last               35
_journal_volume                  7
_journal_year                    1973
_chemical_formula_sum            'C Cs N S'
_chemical_name_systematic        'Cs (S C N)'
_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                   7.978
_cell_length_b                   6.332
_cell_length_c                   8.332
_cell_volume                     420.905
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Manolatos_JSSCBI_1973_1983.cif
_cod_data_source_block           C1Cs1N1S1
_cod_original_cell_volume        420.9051
_cod_original_formula_sum        'C1 Cs1 N1 S1'
_cod_database_code               1528715
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
Cs1 Cs+1 0.174 0.25 0.106 1 0.0
C1 C-4 0.172 0.25 0.559 1 0.0
N1 N-3 0.28 0.25 0.472 1 0.0
S1 S+6 0.0194 0.25 0.689 1 0.0
