#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/13/1521342.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_1521342 loop_ _publ_author_name 'Joseph, J.' 'Vimala, T.M.' 'Raju, J.' 'Murthy, V.R.K.' _publ_section_title ; Structural investigations on the (Ba, Sr) (Zr, Ti) O3 system ; _journal_name_full 'Journal of Physics D, Applied Physics' _journal_page_first 1049 _journal_page_last 1057 _journal_volume 32 _journal_year 1999 _chemical_formula_sum 'Ba0.288 O3 Sr0.712 Ta0.01 Ti0.038 Zr0.952' _chemical_name_systematic '(Ba0.288 Sr0.712) (Zr0.952 Ti0.038 Ta0.01) O3' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2c 2ab' _symmetry_space_group_name_H-M 'P b n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.838 _cell_length_b 5.8464 _cell_length_c 8.2407 _cell_volume 281.266 _citation_journal_id_ASTM JPAPBE _cod_data_source_file Joseph_JPAPBE_1999_198.cif _cod_data_source_block Ba0.288O3Sr0.712Ta0.01Ti0.038Zr0.952 _cod_original_cell_volume 281.2656 _cod_original_sg_symbol_Hall '-P 2ac 2n (z,x,y)' _cod_database_code 1521342 loop_ _symmetry_equiv_pos_as_xyz x,y,z x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x,-y,z+1/2 -x,-y,-z -x-1/2,y-1/2,z x-1/2,-y-1/2,z-1/2 x,y,-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 Sr1 Sr+2 -0.0009 0.5082 0.25 0.712 0.0 Ta1 Ta+4 0 0 0 0.0104 0.0 O2 O-2 -0.0695 -0.0166 0.25 1 0.0 Ti1 Ti+4 0 0 0 0.038 0.0 O1 O-2 0.2266 0.2716 0.0246 1 0.0 Ba1 Ba+2 -0.0009 0.5082 0.25 0.288 0.0 Zr1 Zr+4 0 0 0 0.9516 0.0