#------------------------------------------------------------------------------ #$Date: 2015-10-14 18:08:01 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168777 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/97/1539756.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_1539756 loop_ _publ_author_name 'Binczyska, H.' 'Dimitrijevic, Z.' 'Gajic, B.' 'Szytula, A.' _publ_section_title ; Atomic and magnetic structure of Mn5-x Fex Si3 ; _journal_name_full 'Physica Status Solidi, Sectio A: Applied Research' _journal_page_first K13 _journal_page_last K17 _journal_volume 19 _journal_year 1973 _chemical_formula_sum 'Fe2 Mn3 Si3' _chemical_name_systematic 'Fe2 Mn3 Si3' _space_group_IT_number 193 _symmetry_space_group_name_Hall '-P 6c 2' _symmetry_space_group_name_H-M 'P 63/m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 6.8572 _cell_length_b 6.8572 _cell_length_c 4.7571 _cell_volume 193.716 _citation_journal_id_ASTM PSSABA _cod_data_source_file Binczyska_PSSABA_1973_1225.cif _cod_data_source_block Fe2Mn3Si3 _cod_original_cell_volume 193.7165 _cod_database_code 1539756 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z x-y,-y,-z+1/2 x,x-y,-z y,x,-z+1/2 -x+y,y,-z -x,-x+y,-z+1/2 -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,x-y,-z-1/2 y,x,z -x+y,y,z-1/2 -x,-x+y,z -y,-x,z-1/2 x-y,-y,z x,x-y,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 0.3333 0.6667 0 0.738 0.0 Si1 Si 0.5983 0 0.25 1 0.0 Mn2 Mn 0.2231 0 0.25 0.825 0.0 Fe2 Fe 0.2231 0 0.25 0.175 0.0 Mn1 Mn 0.3333 0.6667 0 0.262 0.0