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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/1/52/40/1524054.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_1524054
loop_
_publ_author_name
'Beauchamp, A.L.'
'Goutier, D.'
_publ_section_title
;
 Structure cristalline et moleculaire du thiocyanate mercurique
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              977
_journal_page_last               981
_journal_volume                  50
_journal_year                    1972
_chemical_formula_sum            'C2 Hg N2 S2'
_chemical_name_systematic        'Hg (S C N)2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.28
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.878
_cell_length_b                   4.042
_cell_length_c                   6.435
_cell_volume                     281.739
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Beauchamp_CJCHAG_1972_1555.cif
_cod_data_source_block           C2Hg1N2S2
_cod_original_cell_volume        281.7392
_cod_original_formula_sum        'C2 Hg1 N2 S2'
_cod_database_code               1524054
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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 0.2597 0 0.2261 1 0.0
Hg1 Hg+2 0 0 0 1 0.0
N1 N-3 0.358 0 0.1638 1 0.0
S1 S-2 0.1269 0 0.3222 1 0.0
