#------------------------------------------------------------------------------ #$Date: 2015-10-05 16:03:17 +0300 (Mon, 05 Oct 2015) $ #$Revision: 160290 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/39/1533986.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_1533986 loop_ _publ_author_name 'Kolitsch, U.' 'Tillmanns, E.' _publ_section_title ; The crystal structure of anthropogenic Pb2 (O H)3 (N O3) and a review of Pb - (O, O H) clusters and lead nitrates ; _journal_name_full 'Mineralogical Magazine (1969-)' _journal_page_first 79 _journal_page_last 93 _journal_volume 67 _journal_year 2003 _chemical_formula_sum 'H3 N O6 Pb2' _chemical_name_systematic 'Pb2 (O H)3 (N O3)' _space_group_IT_number 71 _symmetry_space_group_name_Hall '-I 2 2' _symmetry_space_group_name_H-M 'I m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 8.314 _cell_length_b 8.545 _cell_length_c 17.21 _cell_volume 1222.652 _citation_journal_id_ASTM MNLMBB _cod_data_source_file Kolitsch_MNLMBB_2003_510.cif _cod_data_source_block H3N1O6Pb2 _cod_chemical_formula_sum_orig 'H3 N1 O6 Pb2' _cod_database_code 1533986 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x,-y,-z -x,y,-z -x,-y,-z x,y,-z -x,y,z x,-y,z x+1/2,y+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 x+1/2,-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 N2 N+5 0 0.5 0.2789 1 0.0 Pb1 Pb+2 0.75799 0.23782 0.376017 1 0.0 O6 O-2 0.6675 0 0.4197 1 0.0 O5 O-2 0 0.1592 0.4231 1 0.0 N1 N+5 0.5 0.5 0.272 1 0.0 O4 O-2 0 0.5 0.353 1 0.0 O2 O-2 0.5 0.5 0.3451 1 0.0 O1 O-2 0.369 0.5 0.236 1 0.0 O7 O-2 0.6891 0.3277 0.5 1 0.0 O3 O-2 0 0.374 0.244 1 0.0