#------------------------------------------------------------------------------ #$Date: 2015-10-10 06:24:41 +0300 (Sat, 10 Oct 2015) $ #$Revision: 164682 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/68/1536813.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_1536813 loop_ _publ_author_name 'Koehler, J.' 'Mueller, B.G.' _publ_section_title ; Li Sm Al F6 - das erste Fluoroaluminat mit zweiwertigem Samarium ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 169 _journal_page_last 176 _journal_volume 606 _journal_year 1991 _chemical_formula_sum 'Al F6 Li Sm' _chemical_name_systematic 'Li Sm (Al F6)' _space_group_IT_number 182 _symmetry_space_group_name_Hall 'P 6c 2c' _symmetry_space_group_name_H-M 'P 63 2 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 5.079 _cell_length_b 5.079 _cell_length_c 10.405 _cell_volume 232.450 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Koehler_ZAACAB_1991_27.cif _cod_data_source_block Al1F6Li1Sm1 _cod_original_cell_volume 232.4498 _cod_chemical_formula_sum_orig 'Al1 F6 Li1 Sm1' _cod_database_code 1536813 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z 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 F1 F-1 0.3882 0.0314 0.1502 1 0.0 Li1 Li+1 0.3333 0.6667 0.25 1 0.0 Al1 Al+3 0.6667 0.3333 0.25 1 0.0 Sm1 Sm+2 0 0 0 1 0.0