#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/55/1535550.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_1535550 loop_ _publ_author_name 'Tramsek, M.' 'Lork, E.' 'Zemva, B.' 'Mews, R.' _publ_section_title ; Synthesis and crystal structures of two new lead(II) hexafluoroarsenates(V) ; _journal_name_full 'Journal of Fluorine Chemistry' _journal_page_first 123 _journal_page_last 131 _journal_volume 110 _journal_year 2001 _chemical_formula_sum 'As2 F13 H Pb' _chemical_name_systematic 'Pb (H F) (As F6)2' _space_group_IT_number 60 _symmetry_space_group_name_Hall '-P 2n 2ab' _symmetry_space_group_name_H-M 'P b c n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 10.583 _cell_length_b 15.209 _cell_length_c 10.794 _cell_volume 1737.368 _citation_journal_id_ASTM JFLCAR _cod_data_source_file Tramsek_JFLCAR_2001_154.cif _cod_data_source_block H1As2F13Pb1 _cod_original_formula_sum 'H1 As2 F13 Pb1' _cod_database_code 1535550 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x,y,-z+1/2 -x,-y,-z x-1/2,y-1/2,-z-1/2 -x-1/2,y-1/2,z x,-y,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 F12 F-1 0.054 0.2448 -0.1006 1 0.0 F1 F-1 0.404 0.078 0.082 1 0.0 As2 As+5 0.1819 -0.0739 -0.0806 1 0.0 F13 F-1 0.152 0.252 -0.301 1 0.0 F6 F-1 0.1555 0.0318 -0.1284 1 0.0 F11 F-1 0 0.141 -0.25 1 0.0 As1 As+5 0 0.346 0.25 1 0.0 As3 As+5 0 0.2466 -0.25 1 0.0 F9 F-1 0.172 -0.1028 -0.2413 1 0.0 F3 F-1 0.1216 0.3421 0.3592 1 0.0 F4 F-1 0.074 0.421 0.168 1 0.0 H1 H+1 0.4558 0.0879 0.0243 1 0.0 F5 F-1 0.207 -0.1817 -0.039 1 0.0 F8 F-1 0.0202 -0.0867 -0.0727 1 0.0 F10 F-1 0.3366 -0.06 -0.0965 1 0.0 F7 F-1 0.185 -0.0422 0.071 1 0.0 F2 F-1 0.073 0.265 0.1648 1 0.0 F14 F-1 0 0.353 -0.25 1 0.0 Pb1 Pb+2 0.20455 0.15742 0.04209 1 0.0