#------------------------------------------------------------------------------ #$Date: 2015-07-13 05:49:43 +0300 (Mon, 13 Jul 2015) $ #$Revision: 149518 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/77/1527778.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_1527778 loop_ _publ_author_name 'Matkovic, P.' 'Matkovic, T.' 'Vickovic, I.' _publ_section_title ; Crystal structure of the compound Fe Zr3 ; _journal_name_full 'Metalurgija, Croatia' _journal_page_first 3 _journal_page_last 6 _journal_volume 29 _journal_year 1990 _chemical_formula_sum 'Fe Zr3' _chemical_name_systematic 'Fe Zr3' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 3.321 _cell_length_b 10.966 _cell_length_c 8.825 _cell_volume 321.390 _citation_journal_id_ASTM METABK _cod_data_source_file Matkovic_METABK_1990_489.cif _cod_data_source_block Fe1Zr3 _cod_original_cell_volume 321.3896 _cod_chemical_formula_sum_orig 'Fe1 Zr3' _cod_database_code 1527778 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y,z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 -x+1/2,y+1/2,z x+1/2,-y+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 Fe1 Fe 0 0.761 0.25 1 0.0 Zr1 Zr 0 0.4307 0.25 1 0.0 Zr2 Zr 0 0.1373 0.0581 1 0.0