#------------------------------------------------------------------------------ #$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $ #$Revision: 85285 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/68/9006865.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9006865 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 = 0.05 ; _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 'La0.05 Na0.05 O3 Sr0.9 Ti' _chemical_name_mineral Tausonite _space_group_IT_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _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 3.90427 _cell_length_b 3.90427 _cell_length_c 3.90427 _cell_volume 59.514 _exptl_crystal_density_diffrn 5.101 _[local]_cod_chemical_formula_sum_orig '(Sr.9 Na.05 La.05) Ti O3' _cod_database_code 9006865 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 _atom_site_occupancy SrA 0.50000 0.50000 0.50000 0.90000 NaA 0.50000 0.50000 0.50000 0.05000 LaA 0.50000 0.50000 0.50000 0.05000 Ti 0.00000 0.00000 0.00000 1.00000 O 0.50000 0.00000 0.00000 1.00000