#------------------------------------------------------------------------------
#$Date: 2016-09-16 13:55:27 +0200 (Fri, 16 Sep 2016) $
#$Revision: 186592 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/60/1536085.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_1536085
loop_
_publ_author_name
'Nockemann, P.'
'Meyer, G.'
_publ_section_title
;
 Zwei Mercuri-Ammin-Komplexe: (Hg (N H3)2) (Hg Cl3)2 und (Hg (N H3)4) (Cl
 O4)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              123
_journal_page_last               128
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Cl2 H12 Hg N4 O8'
_chemical_name_systematic        '(Hg (N H3)4) (Cl O4)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.352
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.9152
_cell_length_b                   10.843
_cell_length_c                   15.6642
_cell_volume                     1160.109
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Nockemann_ZAACAB_2003_857.cif
_cod_data_source_block           H12Cl2Hg1N4O8
_cod_original_formula_sum        'H12 Cl2 Hg1 N4 O8'
_cod_database_code               1536085
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
_atom_site_attached_hydrogens
Cl1 Cl+7 0.6005 0.4958 0.3482 1 0.0 0
Cl2 Cl+7 0.8592 0.3712 0.0996 1 0.0 0
O8 O-2 0.713 0.3949 0.0011 1 0.0 0
O2 O-2 0.629 0.3968 0.414 1 0.0 0
O6 O-2 0.893 0.4768 0.1565 1 0.0 0
Hg1 Hg+2 0.16261 0.27167 0.40508 1 0.0 0
O1 O-2 0.455 0.5767 0.3427 1 0.0 0
O5 O-2 1.02 0.33 0.097 1 0.0 0
N1 N-3 0.132 0.4767 0.3815 1 0.0 3
O3 O-2 0.771 0.5673 0.3862 1 0.0 0
N2 N-3 -0.149 0.2027 0.3491 1 0.0 3
N3 N-3 0.336 0.1788 0.5524 1 0.0 3
N4 N-3 0.304 0.2056 0.3171 1 0.0 3
O4 O-2 0.554 0.4475 0.2566 1 0.0 0
O7 O-2 0.825 0.271 0.1427 1 0.0 0
