#------------------------------------------------------------------------------ #$Date: 2015-07-12 22:05:55 +0300 (Sun, 12 Jul 2015) $ #$Revision: 148336 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/37/4343729.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_4343729 loop_ _publ_author_name 'Zhuravleva, M.A.' 'Schultz, A.J.' 'Wang, X.-P.' 'Bakas, T.' 'Kanatzidis, M.G.' _publ_section_title ; Isolation of the new cubic phases RE4 Fe Ga12-x Gex (RE = Sm, Tb; x= 2.5) from molten gallium; single-crystal neutron diffraction study of the Ga/Ge distribution ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 6056 _journal_page_last 6061 _journal_volume 41 _journal_year 2002 _chemical_formula_sum 'Fe Ga9.5 Ge2.5 Tb4' _chemical_name_systematic 'Tb4 Fe Ga9.5 Ge2.5' _space_group_IT_number 229 _symmetry_space_group_name_Hall '-I 4 2 3' _symmetry_space_group_name_H-M 'I m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.6054 _cell_length_b 8.6054 _cell_length_c 8.6054 _cell_volume 637.255 _citation_journal_id_ASTM INOCAJ _cod_data_source_file Zhuravleva_INOCAJ_2002_1787.cif _cod_data_source_block Fe1Ga9.5Ge2.5Tb4 _cod_original_cell_volume 637.2549 _cod_chemical_formula_sum_orig 'Fe1 Ga9.5 Ge2.5 Tb4' _cod_database_code 4343729 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+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 z+1/2,x+1/2,y+1/2 -x+1/2,z+1/2,y+1/2 -z+1/2,-x+1/2,y+1/2 x+1/2,-z+1/2,y+1/2 z+1/2,-x+1/2,-y+1/2 x+1/2,z+1/2,-y+1/2 -z+1/2,x+1/2,-y+1/2 -x+1/2,-z+1/2,-y+1/2 y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1/2 z+1/2,y+1/2,-x+1/2 -y+1/2,z+1/2,-x+1/2 -z+1/2,-y+1/2,-x+1/2 -y+1/2,-z+1/2,x+1/2 z+1/2,-y+1/2,x+1/2 -z+1/2,y+1/2,x+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 -z+1/2,-x+1/2,-y+1/2 x+1/2,-z+1/2,-y+1/2 z+1/2,x+1/2,-y+1/2 -x+1/2,z+1/2,-y+1/2 -z+1/2,x+1/2,y+1/2 -x+1/2,-z+1/2,y+1/2 z+1/2,-x+1/2,y+1/2 x+1/2,z+1/2,y+1/2 -y+1/2,-z+1/2,-x+1/2 -y+1/2,z+1/2,x+1/2 -z+1/2,-y+1/2,x+1/2 y+1/2,-z+1/2,x+1/2 z+1/2,y+1/2,x+1/2 y+1/2,z+1/2,-x+1/2 -z+1/2,y+1/2,-x+1/2 z+1/2,-y+1/2,-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 Fe1 Fe 0 0 0 1 0.0 Ga1 Ga 0.25 0 0.5 0.89 0.0 Ge1 Ge 0.25 0 0.5 0.11 0.0 Ge2 Ge 0.28378 0 0 0.3 0.0 Tb1 Tb 0.25 0.25 0.25 1 0.0 Ga2 Ga 0.28378 0 0 0.7 0.0