#------------------------------------------------------------------------------ #$Date: 2015-07-11 22:43:32 +0300 (Sat, 11 Jul 2015) $ #$Revision: 145942 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/50/1525053.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_1525053 loop_ _publ_author_name 'Parr, J.G.' _publ_section_title ; X-ray investigation of the epsilon-phase in an Fe-Mn alloy ; _journal_name_full 'Journal of the Iron and Steel Institute (London)' _journal_page_first 137 _journal_page_last 141 _journal_volume 171 _journal_year 1952 _chemical_formula_sum 'Fe0.8 Mn0.2' _chemical_name_systematic '(Fe0.8 Mn0.2)' _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 2.53 _cell_length_b 2.53 _cell_length_c 4.079 _cell_volume 22.611 _citation_journal_id_ASTM JISIAX _cod_data_source_file Parr_JISIAX_1952_1966.cif _cod_data_source_block Fe0.8Mn0.2 _cod_original_cell_volume 22.61129 _cod_database_code 1525053 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+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z -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-1/2 -x+y,y,z -x,-x+y,z-1/2 -y,-x,z x-y,-y,z-1/2 x,x-y,z 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 0.25 0.81 0.0 Mn1 Mn 0.3333 0.6667 0.25 0.19 0.0