#------------------------------------------------------------------------------ #$Date: 2013-05-02 22:41:05 +0300 (Thu, 02 May 2013) $ #$Revision: 84633 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/12/1511251.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_1511251 loop_ _publ_author_name 'Hoppe, R.' 'Schlaeger, M.' _publ_section_title ; Preparation and Crystal Structure of CsNa2(BO3) and RbNa2(BO3) ; _journal_name_full 'Australian Journal of Chemistry' _journal_page_first 1427 _journal_page_last 1439 _journal_volume 45 _journal_year 1992 _chemical_formula_sum 'B Na2 O3 Rb' _chemical_name_systematic 'Rb Na2 (B O3)' _space_group_IT_number 59 _symmetry_space_group_name_Hall '-P 2ab 2a' _symmetry_space_group_name_H-M 'P m m n :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.133 _cell_length_b 5.68 _cell_length_c 5.549 _cell_volume 193.302 _citation_journal_id_ASTM AJCHAS _[local]_cod_data_source_file boron0-1_370.cif _[local]_cod_data_source_block B1Na2O3Rb1 _[local]_cod_chemical_formula_sum_orig 'B1 Na2 O3 Rb1' _cod_original_cell_volume 193.3018 _cod_database_code 1511251 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y+1/2,z x+1/2,-y,-z -x,y+1/2,-z -x,-y,-z x-1/2,y-1/2,-z -x-1/2,y,z x,-y-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 O2 O-2 0.25 0.9589 0.6551 1 0.0 Rb1 Rb+1 0.75 0.75 0.887 1 0.0 O1 O-2 0.25 0.75 0.034 1 0.0 Na1 Na+1 0.4818 0.75 0.3632 1 0.0 B1 B+3 0.25 0.75 0.787 1 0.0