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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/04/1530477.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_1530477
loop_
_publ_author_name
'Nardelli, M.'
'Pelizzi, G.'
_publ_section_title
;
 Crystal structure of K2 Pb (N O2)3 (N O3) (H2 O)
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              15
_journal_page_last               19
_journal_volume                  38
_journal_year                    1980
_chemical_formula_sum            'H2 K2 N4 O10 Pb'
_chemical_name_systematic        'K2 Pb (N O2)3 (N O3) (H2 O)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.766
_cell_length_b                   11.999
_cell_length_c                   26.61
_cell_volume                     2160.339
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Nardelli_ICHAA3_1980_652.cif
_cod_data_source_block           H2K2N4O10Pb1
_cod_original_formula_sum        'H2 K2 N4 O10 Pb1'
_cod_database_code               1530477
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,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
O2 O-2 -0.196 0.173 0.108 1 0.0
O3 O-2 0.087 0.009 0.102 1 0.0
K1 K+1 0.2372 0.4997 -0.044 1 0.0
O10 O-2 0.055 0.032 0.293 1 0.0
Pb1 Pb+2 0.1628 0.2287 0.0961 1 0.0
N3 N+3 -0.03 0.247 -0.012 1 0.0
O5 O-2 0.02 0.322 0.013 1 0.0
O7 O-2 0.224 0.329 0.191 1 0.0
O9 O-2 0.144 0.165 0.191 1 0.0
O6 O-2 0.02 0.152 0.008 1 0.0
O1 O-2 -0.171 0.342 0.123 1 0.0
N4 N+5 0.168 0.243 0.218 1 0.0
O4 O-2 0.374 0.035 0.079 1 0.0
N1 N+3 -0.284 0.254 0.121 1 0.0
O8 O-2 0.148 0.256 0.26 1 0.0
N2 N+3 0.249 -0.033 0.092 1 0.0
K2 K+1 0.0722 0.4584 0.3019 1 0.0
