#------------------------------------------------------------------------------ #$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176466 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/33/8103387.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_8103387 loop_ _publ_author_name 'Boese, R.' 'Hueben, W.' 'Blaeser, D.' _publ_section_title ; Crystal structure of Silver dilead pentabromide ; _journal_name_full 'Zeitschrift fuer Kristallographie (149,1979-)' _journal_page_first 135 _journal_page_last 136 _journal_volume 191 _journal_year 1990 _chemical_formula_sum 'Ag Br5 Pb2' _chemical_name_systematic 'Ag Pb2 Br5' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 95.954 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 16.697 _cell_length_b 7.053 _cell_length_c 7.982 _cell_volume 934.921 _citation_journal_id_ASTM ZEKRDZ _cod_data_source_file silver1-2_117.cif _cod_data_source_block Ag1Br5Pb2 _cod_original_formula_sum 'Ag1 Br5 Pb2' _cod_database_code 8103387 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z 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 Br3 Br-1 0.0876 0.38397 0.4204 1 0.0 Pb1 Pb+2 0.10358 0.23193 0.06391 1 0.0 Ag1 Ag+1 0.25 0.25 0.5 1 0.0 Br2 Br-1 0.22055 0.91493 0.31891 1 0.0 Br1 Br-1 0 0.075 -0.25 1 0.0