#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/10/1531030.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_1531030
loop_
_publ_author_name
'Zvonkova, Z.V.'
'Zhdanov, G.S.'
_publ_section_title
;
 The crystal structure of rhodonides. the crystal structure of mercury
 halogen rhodonides
;
_journal_name_full               'Zhurnal Fizicheskoi Khimii'
_journal_page_first              586
_journal_page_last               591
_journal_volume                  26
_journal_year                    1952
_chemical_formula_sum            'Cl Hg N S'
_chemical_name_systematic        'Hg Cl (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                   10.14
_cell_length_b                   4.22
_cell_length_c                   10.38
_cell_volume                     444.169
_citation_journal_id_ASTM        ZFKHA9
_cod_data_source_file            Zvonkova_ZFKHA9_1952_1673.cif
_cod_data_source_block           Cl1Hg1N1S1
_cod_original_cell_volume        444.1685
_cod_original_formula_sum        'Cl1 Hg1 N1 S1'
_cod_database_code               1531030
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
Hg1 Hg+2 0.155 0.25 0.609 1 0.0
N1 N-3 0.474 0.25 0.391 1 0.0
Cl1 Cl-1 0.134 0.25 0.829 1 0.0
S1 S-2 0.199 0.25 0.391 1 0.0
