#------------------------------------------------------------------------------ #$Date: 2015-07-12 19:07:05 +0300 (Sun, 12 Jul 2015) $ #$Revision: 147342 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/62/1526208.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_1526208 loop_ _publ_author_name 'Paiva-Santos, C.O.' 'Mazon, T.' 'Zaghete, M.A.' 'Campos, A.L.' 'Varela, J.A.' 'Foschini, C.R.' _publ_section_title ; Crystal structure of Ba Bi2 Ta2 O9 ; _journal_name_full 'Powder Diffraction' _journal_page_first 134 _journal_page_last 138 _journal_volume 15 _journal_year 2000 _chemical_formula_sum 'Ba1.08 Bi1.92 O9 Ta2' _chemical_name_systematic '(Bi1.63 Ba0.37) (Ba0.71 Bi0.29) (Ta2 O9)' _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 3.9325 _cell_length_b 3.9325 _cell_length_c 25.5069 _cell_volume 394.453 _citation_journal_id_ASTM PODIE2 _cod_data_source_file Paiva-Santos_PODIE2_2000_453.cif _cod_data_source_block Ba1.08Bi1.92O9Ta2 _cod_original_cell_volume 394.4529 _cod_database_code 1526208 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 0.5 0.5 0.20141 0.814 0.0 Bi2 Bi+3 0.5 0.5 0 0.295 0.0 Ba2 Ba+2 0.5 0.5 0 0.705 0.0 O2 O-2 0.5 0.5 0.5 1 0.0 O1 O-2 0 0.5 0.25 1 0.0 Ba1 Ba+2 0.5 0.5 0.20141 0.186 0.0 O3 O-2 0 0 0.148 1 0.0 Ta1 Ta+5 0 0 0.0881 1 0.0 O4 O-2 0 0.5 0.0789 1 0.0