#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/76/1537674.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_1537674 loop_ _publ_author_name 'Aronsson, B.' _publ_section_title ; The crystal structure of Mo5 Si3 and W5 Si3 ; _journal_name_full 'Acta Chemica Scandinavica (1-27,1973-42,1988)' _journal_page_first 1107 _journal_page_last 1110 _journal_volume 9 _journal_year 1955 _chemical_formula_sum 'Mo5 Si3' _space_group_IT_number 140 _symmetry_space_group_name_Hall '-I 4 2c' _symmetry_space_group_name_H-M 'I 4/m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.62 _cell_length_b 9.62 _cell_length_c 4.9 _cell_volume 453.468 _citation_journal_id_ASTM ACSAA4 _cod_data_source_file Aronsson_ACSAA4_1955_727.cif _cod_data_source_block Mo5Si3 _cod_original_cell_volume 453.4676 _cod_database_code 1537674 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z+1/2 y,x,-z+1/2 -x,y,-z+1/2 -y,-x,-z+1/2 -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z-1/2 -y,-x,z-1/2 x,-y,z-1/2 y,x,z-1/2 x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1 y+1/2,x+1/2,-z+1 -x+1/2,y+1/2,-z+1 -y+1/2,-x+1/2,-z+1 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z -y+1/2,-x+1/2,z x+1/2,-y+1/2,z y+1/2,x+1/2,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 Si1 Si 0 0 0.25 1 0.0 Mo1 Mo 0 0.5 0.25 1 0.0 Si2 Si 0.17 0.67 0 1 0.0 Mo2 Mo 0.074 0.223 0 1 0.0