#------------------------------------------------------------------------------ #$Date: 2015-07-10 11:49:08 +0300 (Fri, 10 Jul 2015) $ #$Revision: 141549 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/13/1521341.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_1521341 loop_ _publ_author_name 'Joseph, J.' 'Vimala, T.M.' 'Murthy, V.R.K.' 'Raju, J.' _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 'Ba0.282 O3 Sr0.718 Ti0.017 Zr0.983' _chemical_name_systematic '(Ba0.282 Sr0.718) (Zr0.983 Ti0.017) 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 5.8442 _cell_length_b 5.8523 _cell_length_c 8.2504 _cell_volume 282.180 _citation_journal_id_ASTM JPAPBE _cod_data_source_file Joseph_JPAPBE_1999_197.cif _cod_data_source_block Ba0.282O3Sr0.718Ti0.017Zr0.983 _cod_cif_authors_sg_Hall '-P 2ac 2n (z,x,y)' _cod_original_cell_volume 282.1803 _cod_database_code 1521341 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 Ti1 Ti+4 0 0 0 0.0168 0.0 Zr1 Zr+4 0 0 0 0.9832 0.0 O1 O-2 0.2264 0.2463 0.0207 1 0.0 O2 O-2 -0.0979 -0.0121 0.25 1 0.0 Sr1 Sr+2 0.0028 0.509 0.25 0.7182 0.0 Ba1 Ba+2 0.0028 0.509 0.25 0.2818 0.0