#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/28/1522873.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_1522873 loop_ _publ_author_name 'Schuster, J.C.' 'Ipser, H.' _publ_section_title ; The Al - Al8 Mo3 section of the binary system aluminum- molybdenum ; _journal_name_full ; Metallurgical Transactions A: Physical Metallurgy and Materials Science ; _journal_page_first 1729 _journal_page_last 1738 _journal_volume 22 _journal_year 1991 _chemical_formula_sum 'Al5 Mo' _chemical_name_systematic 'Al5 Mo' _space_group_IT_number 167 _symmetry_space_group_name_Hall '-R 3 2"c' _symmetry_space_group_name_H-M 'R -3 c :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 6 _cell_length_a 4.951 _cell_length_b 4.951 _cell_length_c 26.23 _cell_volume 556.820 _citation_journal_id_ASTM MTTABN _cod_data_source_file Schuster_MTTABN_1991_1622.cif _cod_data_source_block Al5Mo1 _cod_original_cell_volume 556.8199 _cod_original_formula_sum 'Al5 Mo1' _cod_database_code 1522873 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z+1/2 -x,-x+y,-z+1/2 x-y,-y,-z+1/2 -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z-1/2 x,x-y,z-1/2 -x+y,y,z-1/2 x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 y+2/3,x+1/3,-z+5/6 -x+2/3,-x+y+1/3,-z+5/6 x-y+2/3,-y+1/3,-z+5/6 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 -y+2/3,-x+1/3,z-1/6 x+2/3,x-y+1/3,z-1/6 -x+y+2/3,y+1/3,z-1/6 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 y+1/3,x+2/3,-z+7/6 -x+1/3,-x+y+2/3,-z+7/6 x-y+1/3,-y+2/3,-z+7/6 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 -y+1/3,-x+2/3,z+1/6 x+1/3,x-y+2/3,z+1/6 -x+y+1/3,y+2/3,z+1/6 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 Al2 Al 0.333 0 0.25 1 0.0 Mo1 Mo 0 0 0 1 0.0 Al1 Al 0 0 0.167 1 0.0