#------------------------------------------------------------------------------ #$Date: 2013-05-02 18:55:56 +0300 (Thu, 02 May 2013) $ #$Revision: 84242 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/09/1510932.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_1510932 loop_ _publ_author_name 'Miessen, M.' 'Hoppe, R.' _publ_section_title ; Quaternaere Monoborate der Alkalimetalle: Na4 Li5 (B O3)3 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 101 _journal_page_last 113 _journal_volume 536 _journal_year 1986 _chemical_formula_sum 'B3 Li5 Na4 O9' _chemical_name_systematic 'Na4 Li5 (B O3)3' _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 107.29 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 12.388 _cell_length_b 7.296 _cell_length_c 9.738 _cell_volume 840.377 _citation_journal_id_ASTM ZAACAB _[local]_cod_data_source_file boron_460.cif _[local]_cod_data_source_block B3Li5Na4O9 _cod_original_cell_volume 840.3766 _cod_database_code 1510932 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 B1 B+3 0.1683 -0.0837 0.9041 1 0.0 O1 O-2 0.1461 -0.144 0.7633 1 0.0 Li2 Li+1 0 0.723 0.75 1 0.0 O3 O-2 0.2619 0.0133 0.9692 1 0.0 Li1 Li+1 0.0441 0.033 0.6377 1 0.0 Na1 Na+1 0.2766 0.0545 0.7122 1 0.0 Li3 Li+1 0.5934 0.1113 0.0141 1 0.0 Na2 Na+1 0.1224 0.2444 0.0171 1 0.0 O4 O-2 -0.0271 0.4937 0.8548 1 0.0 O5 O-2 0 0.2082 0.75 1 0.0 O2 O-2 0.0879 -0.1207 0.9754 1 0.0 B2 B+3 0 0.3956 0.75 1 0.0