#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/86/1528688.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_1528688 loop_ _publ_author_name 'Liang Zhenhua' 'Zeng Suyuan' 'Tang Kaibin' 'Wang Dong' 'Li Tanwei' 'Zheng Huagui' _publ_section_title ; Synthesis and characterization of a new four-layer Aurivillius phase Bi2 Sr Na2 Nb4 O24 and its protonated form ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 2565 _journal_page_last 2571 _journal_volume 181 _journal_year 2008 _chemical_formula_sum 'Bi2 Na2 Nb4 O15 Sr' _chemical_name_systematic 'Bi2 Sr Na2 (Nb4 O15)' _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.9021 _cell_length_b 3.9021 _cell_length_c 40.7554 _cell_volume 620.557 _citation_journal_id_ASTM JSSCBI _cod_data_source_file LiangZhenhua_JSSCBI_2008_1587.cif _cod_data_source_block Bi2Na2Nb4O15Sr1 _cod_original_cell_volume 620.5574 _cod_original_formula_sum 'Bi2 Na2 Nb4 O15 Sr1' _cod_database_code 1528688 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+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 Bi1 Bi+3 0 0 0.22014 0.82 0.0 O1 O-2 0 0 0.5 1 0.0 Bi2 Bi+3 0 0 0.10046 0.18 0.0 Nb2 Nb+5 0 0 0.35027 1 0.0 O2 O-2 0 0.5 0.04773 1 0.0 O5 O-2 0 0 0.30781 1 0.0 Sr2 Sr+2 0 0 0.10046 0.16 0.0 Nb1 Nb+5 0 0 0.45122 1 0.0 O6 O-2 0 0.5 0.25 1 0.0 O3 O-2 0 0 0.40343 1 0.0 Na2 Na+1 0 0 0 0.68 0.0 Sr3 Sr+2 0 0 0 0.32 0.0 O4 O-2 0 0.5 0.14434 1 0.0 Na1 Na+1 0 0 0.10046 0.66 0.0 Sr1 Sr+2 0 0 0.22014 0.18 0.0