#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/98/1529801.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_1529801 loop_ _publ_author_name 'Dib, A.' 'Aleonard, S.' _publ_section_title ; Structure cristalline de Pb8 Y6 F32 O ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 148 _journal_page_last 161 _journal_volume 64 _journal_year 1986 _chemical_formula_sum 'F32 O Pb8 Y6' _chemical_name_systematic 'Pb8 Y6 O F32' _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 10.817 _cell_length_b 10.817 _cell_length_c 19.942 _cell_volume 2020.752 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Dib_JSSCBI_1986_1257.cif _cod_data_source_block F32O1Pb8Y6 _cod_original_formula_sum 'F32 O1 Pb8 Y6' _cod_database_code 1529801 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z -x,-y,-z y,-x+y,-z x-y,x,-z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 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 F6 F-1 0 0 0.1358 1 0.0 Pb2 Pb+2 0.22784 0.19146 0.08341 1 0.0 F1 F-1 0.0357 0.2525 0.0414 1 0.0 F4 F-1 0.2959 0.5008 0.0509 1 0.0 Y1 Y+3 0.08649 0.47275 0.08209 1 0.0 Pb1 Pb+2 0 0 0.26121 1 0.0 F2 F-1 0.4309 0.1386 0.1161 1 0.0 F5 F-1 0.1255 0.3621 0.1679 1 0.0 F3 F-1 0.4751 0.394 0.0365 1 0.0 O1 O-2 0 0 0 1 0.0