#------------------------------------------------------------------------------ #$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $ #$Revision: 255 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9006864.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_9006864 loop_ _publ_author_name 'Mitchell R H' 'Chakhmouradian A R' 'Woodward P M' _publ_section_title ; Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.00 ; _journal_name_full 'Physics and Chemistry of Minerals' _journal_page_first 583 _journal_page_last 589 _journal_volume 27 _journal_year 2000 _chemical_formula_sum 'Sr Ti O3' _chemical_name_mineral Tausonite _symmetry_space_group_name_H-M 'P m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 3.90528 _cell_length_b 3.90528 _cell_length_c 3.90528 _cell_volume 59.560 loop_ _symmetry_equiv_pos_as_xyz x,y,z z,-x,y -y,z,-x x,-y,z -z,x,-y y,-z,x -x,y,-z x,-z,-y -z,y,x y,-x,-z -x,z,y z,-y,-x -y,x,z x,z,y -z,-y,-x y,x,z -x,-z,-y z,y,x -y,-x,-z z,x,-y -y,-z,x x,y,-z -z,-x,y y,z,-x -x,-y,z -z,x,y y,-z,-x -x,y,z z,-x,-y -y,z,x x,-y,-z -x,z,-y z,-y,x -y,x,-z x,-z,y -z,y,-x y,-x,z -x,-z,y z,y,-x -y,-x,z x,z,-y -z,-y,x y,x,-z -z,-x,-y y,z,x -x,-y,-z z,x,y -y,-z,-x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z SrA 0.50000 0.50000 0.50000 Ti 0.00000 0.00000 0.00000 O 0.50000 0.00000 0.00000