#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007923.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007923
loop_
_publ_author_name
'Nockemann, P.'
'Meyer, G.'
_publ_section_title
;
 Ammonium mercury(II) dichloride nitrate, (NH4)2HgCl2(NO3)2
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i68
_journal_page_last               i69
_journal_paper_doi               10.1107/S1600536802011145
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     (NH4)2HgCl2(NO3)2
_chemical_formula_sum            'Cl2 Hg N4 O6'
_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_length_a                   15.5758
_cell_length_b                   5.4976
_cell_length_c                   11.2826
_cell_formula_units_Z            4
_cell_volume                     966.124
_database_code_amcsd             0010381
_exptl_crystal_density_diffrn    2.912
_cod_original_formula_sum        'Hg Cl2 O6 N4'
_cod_database_code               9007923
_amcsd_formula_title             (NH4)2HgCl2(NO3)2
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
Hg1 0.16981 0.75000 0.25566 0.02896 0
Cl1 0.14553 0.75000 0.05452 0.04010 0
Cl2 0.19354 0.75000 0.45760 0.04050 0
O1 0.20020 0.25000 0.25940 0.04660 0
O2 0.31904 0.05300 0.23960 0.03890 0
O3 0.01854 0.05450 0.31540 0.05300 0
O4 -0.00020 0.25000 0.15330 0.04610 0
N1 0.27990 0.25000 0.24620 0.02700 0
N2 0.01200 0.25000 0.26080 0.02730 0
N3 0.10480 0.25000 0.54740 0.03820 4
N4 0.42050 0.75000 0.40980 0.03780 4
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010381
