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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/72/1537215.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_1537215
loop_
_publ_author_name
'Gacemi, A.'
'Benbertal, D.'
'Mosset, A.'
'Bagieu-Beucher, M.'
'Lecchi, A.'
_publ_section_title
;
 Two mercury chloro thiocyanate complexes: N H4(Hg Cl2(S C N)) and N H4(Hg
 Cl(S C N)2)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2516
_journal_page_last               2520
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'C H4 Cl2 Hg N2 S'
_chemical_name_systematic        '(N H4) (Hg Cl2 (S C N))'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.827
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.2968
_cell_length_b                   4.1706
_cell_length_c                   9.1984
_cell_volume                     356.218
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Gacemi_ZAACAB_2003_477.cif
_cod_data_source_block           C1H4Cl2Hg1N2S1
_cod_original_cell_volume        356.2177
_cod_original_formula_sum        'C1 H4 Cl2 Hg1 N2 S1'
_cod_database_code               1537215
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
N2 N-2 0.2607 0.228 0.9024 1 0.0
Hg1 Hg+1 0.87985 0.732 0.6662 1 0.0
Cl1 Cl-1 1.1317 0.73 0.6379 1 0.0
C1 C+4 0.5532 0.706 0.7266 1 0.0
N1 N-3 0.4882 0.71 0.826 1 0.0
Cl2 Cl-1 0.8794 0.228 0.8658 1 0.0
S1 S-2 0.64 0.756 0.5732 1 0.0
