#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/15/1531510.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_1531510
loop_
_publ_author_name
'Hall, D.'
'Holland, R.V.'
_publ_section_title
;
 The Crystal Structure of K3 (Hg (N O2)4) N O3
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              235
_journal_page_last               238
_journal_volume                  3
_journal_year                    1969
_chemical_formula_sum            'Hg K3 N5 O11'
_chemical_name_systematic        'K3 Hg (N O2)4 (N O3)'
_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                   12.12
_cell_length_b                   10.58
_cell_length_c                   9.28
_cell_volume                     1189.971
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Hall_ICHAA3_1969_1197.cif
_cod_data_source_block           Hg1K3N5O11
_cod_original_formula_sum        'Hg1 K3 N5 O11'
_cod_database_code               1531510
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
N4 N+5 0.2492 0.25 0.737 1 0.0
O1 O-2 0.0211 0.0296 0.1702 1 0.0
N2 N+3 0.3413 0.25 0.1496 1 0.0
N1 N+3 0.0406 0.0036 0.2959 1 0.0
K1 K+1 0.0176 0.25 0.6021 1 0.0
Hg1 Hg+2 0.0923 0.25 0.1879 1 0.0
O7 O-2 0.298 0.25 0.8618 1 0.0
O3 O-2 0.2812 0.1521 0.1725 1 0.0
O2 O-2 0.0776 0.0851 0.3729 1 0.0
O4 O-2 -0.0816 0.25 0.0282 1 0.0
N3 N+3 -0.0299 0.25 -0.0881 1 0.0
K2 K+1 0.3017 0.0046 0.4384 1 0.0
O6 O-2 0.2232 0.1496 0.6753 1 0.0
O5 O-2 0.076 0.25 -0.0638 1 0.0
