#------------------------------------------------------------------------------ #$Date: 2015-07-12 17:23:09 +0300 (Sun, 12 Jul 2015) $ #$Revision: 146769 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/57/1525725.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_1525725 loop_ _publ_author_name 'Brunton, G.' _publ_section_title ; The crystal structure of Na2 Li Be2 F7 ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 641 _journal_page_last 646 _journal_volume 7 _journal_year 1972 _chemical_formula_sum 'Be2 F7 Li Na2' _chemical_name_systematic 'Na2 Li Be2 F7' _space_group_IT_number 113 _symmetry_space_group_name_Hall 'P -4 2ab' _symmetry_space_group_name_H-M 'P -4 21 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.593 _cell_length_b 7.593 _cell_length_c 4.841 _cell_volume 279.101 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Brunton_MRBUAC_1972_1932.cif _cod_data_source_block Be2F7Li1Na2 _cod_original_cell_volume 279.1013 _cod_chemical_formula_sum_orig 'Be2 F7 Li1 Na2' _cod_database_code 1525725 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z x+1/2,-y+1/2,-z -y+1/2,-x+1/2,z -x+1/2,y+1/2,-z y+1/2,x+1/2,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 0.5 0.8282 1 0.0 Na1 Na+1 0.1669 0.6669 0.4927 1 0.0 F2 F-1 0.3586 0.8586 0.7547 1 0.0 F3 F-1 0.0828 0.187 0.8014 1 0.0 Be1 Be+2 0.3597 0.8597 0.0656 1 0.0 Li1 Li+1 0 0 0 1 0.0