#------------------------------------------------------------------------------ #$Date: 2015-07-11 18:08:40 +0300 (Sat, 11 Jul 2015) $ #$Revision: 145544 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/47/1524718.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_1524718 loop_ _publ_author_name 'Koenig, H.' 'Hoppe, R.' 'Jansen, M.' _publ_section_title ; Zur Kenntnis von Na4 B2 O5 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 91 _journal_page_last 101 _journal_volume 449 _journal_year 1979 _chemical_formula_sum 'B2 Na4 O5' _chemical_name_systematic 'Na4 B2 O5' _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 110.1 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.618 _cell_length_b 8.015 _cell_length_c 6.287 _cell_volume 502.457 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Koenig_ZAACAB_1979_412.cif _cod_data_source_block B2Na4O5 _cod_database_code 1524718 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 0.0917 0.1632 0.6683 1 0.0 O1 O-2 0.5463 0.1975 0.0409 1 0.0 O2 O-2 0 0.9262 0.25 1 0.0 Na2 Na+1 0.3579 0.3277 0.7281 1 0.0 Na1 Na+1 0.3664 0.0359 0.0757 1 0.0 O3 O-2 0.7167 0.4001 0.2178 1 0.0