#------------------------------------------------------------------------------ #$Date: 2015-10-05 11:51:46 +0300 (Mon, 05 Oct 2015) $ #$Revision: 159691 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/34/1533447.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_1533447 loop_ _publ_author_name 'Shcherbakova, Ye.V.' 'Ivanova, G.V.' 'Gaviko, V.S.' 'Gabay, A.M.' _publ_section_title ; Crystal structure of novel ferromagnetic La Fe13-x Gax C compounds ; _journal_name_full 'Journal of Magnetism and Magnetic Materials' _journal_page_first 26 _journal_page_last 34 _journal_volume 267 _journal_year 2003 _chemical_formula_sum 'C0.93 Fe10.04 Ga2.96 La' _chemical_name_systematic 'La Fe10.04 Ga2.96 C0.93' _space_group_IT_number 226 _symmetry_space_group_name_Hall '-F 4a 2 3' _symmetry_space_group_name_H-M 'F m -3 c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 11.805 _cell_length_b 11.805 _cell_length_c 11.805 _cell_volume 1645.121 _citation_journal_id_ASTM JMMMDC _cod_data_source_file Shcherbakova_JMMMDC_2003_1592.cif _cod_data_source_block C0.93Fe10.04Ga2.96La1 _cod_original_cell_volume 1645.122 _cod_chemical_formula_sum_orig 'C0.93 Fe10.04 Ga2.96 La1' _cod_database_code 1533447 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x,z -x+1/2,-y+1/2,z y,-x+1/2,z x,-y,-z y+1/2,x,-z -x+1/2,y+1/2,-z -y,-x+1/2,-z z,x,y -x+1/2,z,y -z+1/2,-x+1/2,y x,-z+1/2,y z,-x,-y x+1/2,z,-y -z+1/2,x+1/2,-y -x,-z+1/2,-y y,z,x y,-z+1/2,-x+1/2 z,y,-x+1/2 -y+1/2,z,-x+1/2 -z+1/2,-y,-x -y,-z,x z,-y,x+1/2 -z+1/2,y+1/2,x+1/2 -x,-y,-z y-1/2,-x,-z x-1/2,y-1/2,-z -y,x-1/2,-z -x,y,z -y-1/2,-x,z x-1/2,-y-1/2,z y,x-1/2,z -z,-x,-y x-1/2,-z,-y z-1/2,x-1/2,-y -x,z-1/2,-y -z,x,y -x-1/2,-z,y z-1/2,-x-1/2,y x,z-1/2,y -y,-z,-x -y,z-1/2,x-1/2 -z,-y,x-1/2 y-1/2,-z,x-1/2 z-1/2,y,x y,z,-x -z,y,-x-1/2 z-1/2,-y-1/2,-x-1/2 x,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1,z+1/2 y,-x+1,z+1/2 x,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1,-z+1/2 -y,-x+1,-z+1/2 z,x+1/2,y+1/2 -x+1/2,z+1/2,y+1/2 -z+1/2,-x+1,y+1/2 x,-z+1,y+1/2 z,-x+1/2,-y+1/2 x+1/2,z+1/2,-y+1/2 -z+1/2,x+1,-y+1/2 -x,-z+1,-y+1/2 y,z+1/2,x+1/2 y,-z+1,-x+1 z,y+1/2,-x+1 -y+1/2,z+1/2,-x+1 -z+1/2,-y+1/2,-x+1/2 -y,-z+1/2,x+1/2 z,-y+1/2,x+1 -z+1/2,y+1,x+1 -x,-y+1/2,-z+1/2 y-1/2,-x+1/2,-z+1/2 x-1/2,y,-z+1/2 -y,x,-z+1/2 -x,y+1/2,z+1/2 -y-1/2,-x+1/2,z+1/2 x-1/2,-y,z+1/2 y,x,z+1/2 -z,-x+1/2,-y+1/2 x-1/2,-z+1/2,-y+1/2 z-1/2,x,-y+1/2 -x,z,-y+1/2 -z,x+1/2,y+1/2 -x-1/2,-z+1/2,y+1/2 z-1/2,-x,y+1/2 x,z,y+1/2 -y,-z+1/2,-x+1/2 -y,z,x -z,-y+1/2,x y-1/2,-z+1/2,x z-1/2,y+1/2,x+1/2 y,z+1/2,-x+1/2 -z,y+1/2,-x z-1/2,-y,-x x+1/2,y,z+1/2 -y+1,x,z+1/2 -x+1,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y,-z+1/2 y+1,x,-z+1/2 -x+1,y+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 z+1/2,x,y+1/2 -x+1,z,y+1/2 -z+1,-x+1/2,y+1/2 x+1/2,-z+1/2,y+1/2 z+1/2,-x,-y+1/2 x+1,z,-y+1/2 -z+1,x+1/2,-y+1/2 -x+1/2,-z+1/2,-y+1/2 y+1/2,z,x+1/2 y+1/2,-z+1/2,-x+1 z+1/2,y,-x+1 -y+1,z,-x+1 -z+1,-y,-x+1/2 -y+1/2,-z,x+1/2 z+1/2,-y,x+1 -z+1,y+1/2,x+1 -x+1/2,-y,-z+1/2 y,-x,-z+1/2 x,y-1/2,-z+1/2 -y+1/2,x-1/2,-z+1/2 -x+1/2,y,z+1/2 -y,-x,z+1/2 x,-y-1/2,z+1/2 y+1/2,x-1/2,z+1/2 -z+1/2,-x,-y+1/2 x,-z,-y+1/2 z,x-1/2,-y+1/2 -x+1/2,z-1/2,-y+1/2 -z+1/2,x,y+1/2 -x,-z,y+1/2 z,-x-1/2,y+1/2 x+1/2,z-1/2,y+1/2 -y+1/2,-z,-x+1/2 -y+1/2,z-1/2,x -z+1/2,-y,x y,-z,x z,y,x+1/2 y+1/2,z,-x+1/2 -z+1/2,y,-x z,-y-1/2,-x x+1/2,y+1/2,z -y+1,x+1/2,z -x+1,-y+1,z y+1/2,-x+1,z x+1/2,-y+1/2,-z y+1,x+1/2,-z -x+1,y+1,-z -y+1/2,-x+1,-z z+1/2,x+1/2,y -x+1,z+1/2,y -z+1,-x+1,y x+1/2,-z+1,y z+1/2,-x+1/2,-y x+1,z+1/2,-y -z+1,x+1,-y -x+1/2,-z+1,-y y+1/2,z+1/2,x y+1/2,-z+1,-x+1/2 z+1/2,y+1/2,-x+1/2 -y+1,z+1/2,-x+1/2 -z+1,-y+1/2,-x -y+1/2,-z+1/2,x z+1/2,-y+1/2,x+1/2 -z+1,y+1,x+1/2 -x+1/2,-y+1/2,-z y,-x+1/2,-z x,y,-z -y+1/2,x,-z -x+1/2,y+1/2,z -y,-x+1/2,z x,-y,z y+1/2,x,z -z+1/2,-x+1/2,-y x,-z+1/2,-y z,x,-y -x+1/2,z,-y -z+1/2,x+1/2,y -x,-z+1/2,y z,-x,y x+1/2,z,y -y+1/2,-z+1/2,-x -y+1/2,z,x-1/2 -z+1/2,-y+1/2,x-1/2 y,-z+1/2,x-1/2 z,y+1/2,x y+1/2,z+1/2,-x -z+1/2,y+1/2,-x-1/2 z,-y,-x-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 Ga2 Ga 0 0.6143 0.822 0.23 0.0 C1 C 0 0.25 0.25 0.31 0.0 Ga1 Ga 0 0 0 0.2 0.0 La1 La 0.25 0.25 0.25 1 0.0 Fe1 Fe 0 0 0 0.8 0.0 Fe2 Fe 0 0.6143 0.822 0.77 0.0