#------------------------------------------------------------------------------ #$Date: 2015-07-12 21:56:46 +0300 (Sun, 12 Jul 2015) $ #$Revision: 148281 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/69/1526994.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_1526994 loop_ _publ_author_name 'Yamane, H.' 'Hara, H.' 'Kubota, S.' 'Shimada, M.' _publ_section_title ; Synthesis and crystal structure of (Sr1-x La1+x) Zn1-x O3.5-x/2 (0.01 <= x <= 0.03) ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 19 _journal_page_last 25 _journal_volume 159 _journal_year 2001 _chemical_formula_sum 'La1.01 O3.495 Sr0.99 Zn0.99' _chemical_name_systematic '(Sr0.99 La1.01) Zn0.99 O3.495' _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 3.74935 _cell_length_b 3.74935 _cell_length_c 13.5722 _cell_volume 190.793 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Yamane_JSSCBI_2001_1593.cif _cod_data_source_block La1.01O3.495Sr0.99Zn0.99 _cod_original_cell_volume 190.7929 _cod_database_code 1526994 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 La1 La+3 0 0 0.35386 0.505 0.0 Zn1 Zn+2 0 0 0.015 0.495 0.0 Sr1 Sr+2 0 0 0.35386 0.495 0.0 O1 O-2 0 0.077 0.1758 0.25 0.0 O2 O-2 0.093 0.5 0 0.3738 0.0