#------------------------------------------------------------------------------
#$Date: 2018-01-14 23:12:37 +0200 (Sun, 14 Jan 2018) $
#$Revision: 205203 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/08/2020897.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2020897
loop_
_publ_author_name
'Nowotny, H.'
'Heger, G.'
_publ_section_title
;
 Structure refinement of lead nitrate
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              133
_journal_page_last               135
_journal_paper_doi               10.1107/s0108270186097032
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'N2 O6 Pb'
_chemical_name_systematic        'Lead(II) nitrate'
_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8586(2)
_cell_length_b                   7.8586(2)
_cell_length_c                   7.8586(2)
_cell_volume                     485.33(2)
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     0.8313(9)
_exptl_absorpt_coefficient_mu    0.0015
_exptl_crystal_density_diffrn    4.535
_refine_ls_number_parameters     16
_refine_ls_number_reflns         334
_refine_ls_R_factor_all          0.034
_refine_ls_R_factor_gt           0.019
_refine_ls_wR_factor_all         0.037
_refine_ls_wR_factor_gt          0.015
_cod_data_source_file            nowotny1986.cif
_cod_data_source_block           Pb(NO3)2
_cod_database_code               2020897
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 z,x,y
3 y,z,x
4 -y+1/2,-z,x+1/2
5 z+1/2,-x+1/2,-y
6 -y,z+1/2,-x+1/2
7 -z+1/2,-x,y+1/2
8 -z,x+1/2,-y+1/2
9 y+1/2,-z+1/2,-x
10 x+1/2,-y+1/2,-z
11 -x,y+1/2,-z+1/2
12 -x+1/2,-y,z+1/2
13 -x,-y,-z
14 -z,-x,-y
15 -y,-z,-x
16 y+1/2,z,-x+1/2
17 -z+1/2,x+1/2,y
18 y,-z+1/2,x+1/2
19 z+1/2,x,-y+1/2
20 z,-x+1/2,y+1/2
21 -y+1/2,z+1/2,x
22 -x+1/2,y+1/2,z
23 x,-y+1/2,z+1/2
24 x+1/2,y,-z+1/2
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
Pb 0.0637 0.0004 0.0004 0.0636 0.0004 0.0636
N 0.0632 0.0027 0.0027 0.0632 0.0027 0.0632
O 0.112 0.0242 0.0267 0.1058 0.0206 0.0705
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb Pb2+ 0 0 0
N N5+ 0.34865(4) 0.34865(4) 0.34865(4)
O O2- 0.27772(8) 0.28869(8) 0.47730(7)
