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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/1/53/49/1534945.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_1534945
loop_
_publ_author_name
'Malcic, S.S.'
_publ_section_title
;
 Die Kristallstruktur des Natriumtrichloromerkurat(II) Dihydrats
;
_journal_name_full
;
Bulletin of the Institute of Nuclear Sciences 'Boris Kidrich'
;
_journal_page_first              115
_journal_page_last               122
_journal_volume                  9
_journal_year                    1959
_chemical_formula_sum            'Cl3 H4 Hg Na O2'
_chemical_name_systematic        'Na Hg Cl3 (H2 O)2'
_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                   9.372
_cell_length_b                   4.037
_cell_length_c                   18.71
_cell_volume                     707.888
_citation_journal_id_ASTM        BINKJ3
_cod_data_source_file            Malcic_BINKJ3_1959_509.cif
_cod_data_source_block           H4Cl3Hg1Na1O2
_cod_original_cell_volume        707.8884
_cod_original_formula_sum        'H4 Cl3 Hg1 Na1 O2'
_cod_database_code               1534945
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
O1 O-2 -0.14 0.25 -0.31 1 0.0
Hg1 Hg+2 0.0752 0.25 0.0942 1 0.0
Na1 Na+1 -0.01 0.25 0.333 1 0.0
Cl1 Cl-1 -0.082 0.25 0.192 1 0.0
Cl2 Cl-1 -0.26 0.25 -0.143 1 0.0
Cl3 Cl-1 0.164 0.25 -0.026 1 0.0
O2 O-2 0.036 0.25 0.444 1 0.0
