#------------------------------------------------------------------------------ #$Date: 2015-10-12 17:59:04 +0300 (Mon, 12 Oct 2015) $ #$Revision: 165951 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/76/1537651.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_1537651 loop_ _publ_author_name 'Anderson, E.' 'Hume-Rothery, W.' _publ_section_title ; The equilibrium diagram of the system molybdenum-ruthenium ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 443 _journal_page_last 450 _journal_volume 2 _journal_year 1960 _chemical_formula_sum 'Mo0.8 Ru1.2' _chemical_name_systematic '(Mo2 Ru3)0.4' _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 1 _cell_length_a 2.7478 _cell_length_b 2.7478 _cell_length_c 4.4103 _cell_volume 28.838 _citation_journal_id_ASTM JCOMAH _cod_data_source_file Anderson_JCOMAH_1960_720.cif _cod_data_source_block Mo0.8Ru1.2 _cod_original_cell_volume 28.83826 _cod_database_code 1537651 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 Ru1 Ru 0.3333 0.6667 0.25 0.586 0.0 Mo1 Mo 0.3333 0.6667 0.25 0.414 0.0