#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/67/1526788.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_1526788 loop_ _publ_author_name 'Kumada, N.' 'Kinomura, N.' 'Sleight, A.W.' _publ_section_title ; Neutron powder diffraction refinement of ilmenite-type bismuth oxides: A Bi O3 (A = Na, Ag) ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 2397 _journal_page_last 2402 _journal_volume 35 _journal_year 2000 _chemical_formula_sum 'Bi Na O3' _chemical_name_systematic 'Na (Bi O3)' _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 6 _cell_length_a 5.5672 _cell_length_b 5.5672 _cell_length_c 15.989 _cell_volume 429.166 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Kumada_MRBUAC_2000_307.cif _cod_data_source_block Bi1Na1O3 _cod_original_cell_volume 429.1663 _cod_original_formula_sum 'Bi1 Na1 O3' _cod_database_code 1526788 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z -x,-y,-z y,-x+y,-z x-y,x,-z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 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 Bi1 Bi+5 0 0 0.3428 1 0.0 O1 O-2 0.2779 -0.038 0.2589 1 0.0 Na1 Na+1 0 0 0.1446 1 0.0