#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/14/1541405.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_1541405 loop_ _publ_author_name 'Harari, D.' 'Poix, D.' 'Bernier, J.D.' _publ_section_title ; Etude structurale de quatre nouvelles perovskites au cobalt ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 330 _journal_page_last 339 _journal_volume 11 _journal_year 1974 _chemical_formula_sum 'Co0.67 O3 Sr W0.33' _chemical_name_systematic 'Sr (Co0.67 W0.33 O3)' _space_group_IT_number 225 _symmetry_space_group_name_Hall '-F 4 2 3' _symmetry_space_group_name_H-M 'F m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 7.91 _cell_length_b 7.91 _cell_length_c 7.91 _cell_volume 494.914 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Harari_JSSCBI_1974_1604.cif _cod_data_source_block Co0.67O3Sr1W0.33 _cod_original_cell_volume 494.9136 _cod_original_formula_sum 'Co0.67 O3 Sr1 W0.33' _cod_database_code 1541405 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 z,x,y -x,z,y -z,-x,y x,-z,y z,-x,-y x,z,-y -z,x,-y -x,-z,-y y,z,x y,-z,-x z,y,-x -y,z,-x -z,-y,-x -y,-z,x z,-y,x -z,y,x -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z -z,-x,-y x,-z,-y z,x,-y -x,z,-y -z,x,y -x,-z,y z,-x,y x,z,y -y,-z,-x -y,z,x -z,-y,x y,-z,x z,y,x y,z,-x -z,y,-x z,-y,-x x,y+1/2,z+1/2 -y,x+1/2,z+1/2 -x,-y+1/2,z+1/2 y,-x+1/2,z+1/2 x,-y+1/2,-z+1/2 y,x+1/2,-z+1/2 -x,y+1/2,-z+1/2 -y,-x+1/2,-z+1/2 z,x+1/2,y+1/2 -x,z+1/2,y+1/2 -z,-x+1/2,y+1/2 x,-z+1/2,y+1/2 z,-x+1/2,-y+1/2 x,z+1/2,-y+1/2 -z,x+1/2,-y+1/2 -x,-z+1/2,-y+1/2 y,z+1/2,x+1/2 y,-z+1/2,-x+1/2 z,y+1/2,-x+1/2 -y,z+1/2,-x+1/2 -z,-y+1/2,-x+1/2 -y,-z+1/2,x+1/2 z,-y+1/2,x+1/2 -z,y+1/2,x+1/2 -x,-y+1/2,-z+1/2 y,-x+1/2,-z+1/2 x,y+1/2,-z+1/2 -y,x+1/2,-z+1/2 -x,y+1/2,z+1/2 -y,-x+1/2,z+1/2 x,-y+1/2,z+1/2 y,x+1/2,z+1/2 -z,-x+1/2,-y+1/2 x,-z+1/2,-y+1/2 z,x+1/2,-y+1/2 -x,z+1/2,-y+1/2 -z,x+1/2,y+1/2 -x,-z+1/2,y+1/2 z,-x+1/2,y+1/2 x,z+1/2,y+1/2 -y,-z+1/2,-x+1/2 -y,z+1/2,x+1/2 -z,-y+1/2,x+1/2 y,-z+1/2,x+1/2 z,y+1/2,x+1/2 y,z+1/2,-x+1/2 -z,y+1/2,-x+1/2 z,-y+1/2,-x+1/2 x+1/2,y,z+1/2 -y+1/2,x,z+1/2 -x+1/2,-y,z+1/2 y+1/2,-x,z+1/2 x+1/2,-y,-z+1/2 y+1/2,x,-z+1/2 -x+1/2,y,-z+1/2 -y+1/2,-x,-z+1/2 z+1/2,x,y+1/2 -x+1/2,z,y+1/2 -z+1/2,-x,y+1/2 x+1/2,-z,y+1/2 z+1/2,-x,-y+1/2 x+1/2,z,-y+1/2 -z+1/2,x,-y+1/2 -x+1/2,-z,-y+1/2 y+1/2,z,x+1/2 y+1/2,-z,-x+1/2 z+1/2,y,-x+1/2 -y+1/2,z,-x+1/2 -z+1/2,-y,-x+1/2 -y+1/2,-z,x+1/2 z+1/2,-y,x+1/2 -z+1/2,y,x+1/2 -x+1/2,-y,-z+1/2 y+1/2,-x,-z+1/2 x+1/2,y,-z+1/2 -y+1/2,x,-z+1/2 -x+1/2,y,z+1/2 -y+1/2,-x,z+1/2 x+1/2,-y,z+1/2 y+1/2,x,z+1/2 -z+1/2,-x,-y+1/2 x+1/2,-z,-y+1/2 z+1/2,x,-y+1/2 -x+1/2,z,-y+1/2 -z+1/2,x,y+1/2 -x+1/2,-z,y+1/2 z+1/2,-x,y+1/2 x+1/2,z,y+1/2 -y+1/2,-z,-x+1/2 -y+1/2,z,x+1/2 -z+1/2,-y,x+1/2 y+1/2,-z,x+1/2 z+1/2,y,x+1/2 y+1/2,z,-x+1/2 -z+1/2,y,-x+1/2 z+1/2,-y,-x+1/2 x+1/2,y+1/2,z -y+1/2,x+1/2,z -x+1/2,-y+1/2,z y+1/2,-x+1/2,z x+1/2,-y+1/2,-z y+1/2,x+1/2,-z -x+1/2,y+1/2,-z -y+1/2,-x+1/2,-z z+1/2,x+1/2,y -x+1/2,z+1/2,y -z+1/2,-x+1/2,y x+1/2,-z+1/2,y z+1/2,-x+1/2,-y x+1/2,z+1/2,-y -z+1/2,x+1/2,-y -x+1/2,-z+1/2,-y y+1/2,z+1/2,x y+1/2,-z+1/2,-x z+1/2,y+1/2,-x -y+1/2,z+1/2,-x -z+1/2,-y+1/2,-x -y+1/2,-z+1/2,x z+1/2,-y+1/2,x -z+1/2,y+1/2,x -x+1/2,-y+1/2,-z y+1/2,-x+1/2,-z x+1/2,y+1/2,-z -y+1/2,x+1/2,-z -x+1/2,y+1/2,z -y+1/2,-x+1/2,z x+1/2,-y+1/2,z y+1/2,x+1/2,z -z+1/2,-x+1/2,-y x+1/2,-z+1/2,-y z+1/2,x+1/2,-y -x+1/2,z+1/2,-y -z+1/2,x+1/2,y -x+1/2,-z+1/2,y z+1/2,-x+1/2,y x+1/2,z+1/2,y -y+1/2,-z+1/2,-x -y+1/2,z+1/2,x -z+1/2,-y+1/2,x y+1/2,-z+1/2,x z+1/2,y+1/2,x y+1/2,z+1/2,-x -z+1/2,y+1/2,-x z+1/2,-y+1/2,-x 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 Co2 Co+3 0.5 0.5 0.5 1 0.0 Co1 Co+3 0 0 0 0.32 0.0 W1 W+6 0 0 0 0.66 0.0 Sr1 Sr+2 0.25 0.25 0.25 1 0.0 O1 O-2 0.245 0 0 1 0.0