#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/86/1528606.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_1528606 loop_ _publ_author_name 'Jeitschko, W.' _publ_section_title ; Die Kristallstruktur von Mo Al B ; _journal_name_full 'Monatshefte fuer Chemie (-108,1977)' _journal_page_first 1472 _journal_page_last 1476 _journal_volume 97 _journal_year 1966 _chemical_formula_sum 'Al B Mo' _chemical_name_systematic 'Mo Al B' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 3.212 _cell_length_b 13.985 _cell_length_c 3.102 _cell_volume 139.341 _citation_journal_id_ASTM MOCHAP _cod_data_source_file Jeitschko_MOCHAP_1966_284.cif _cod_data_source_block Al1B1Mo1 _cod_original_cell_volume 139.3413 _cod_original_formula_sum 'Al1 B1 Mo1' _cod_database_code 1528606 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y,z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 -x+1/2,y+1/2,z x+1/2,-y+1/2,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 Mo1 Mo 0 0.0891 0.25 1 0.0 Al1 Al 0 0.304 0.25 1 0.0 B1 B 0 0.465 0.25 1 0.0