#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/61/2106170.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2106170 loop_ _publ_author_name 'van Reuth, E.C.' 'Waterstrat, R.M.' _publ_section_title ; Atomic ordering in binary A15-type phases ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 186 _journal_page_last 196 _journal_volume 24 _journal_year 1968 _chemical_formula_sum 'Cr3 Os' _space_group_IT_number 223 _symmetry_space_group_name_Hall '-P 4n 2 3' _symmetry_space_group_name_H-M 'P m -3 n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.6842 _cell_length_b 4.6842 _cell_length_c 4.6842 _cell_volume 102.779 _citation_journal_id_ASTM ACBCAR _cod_data_source_file vanReuth_ACBCAR_1968_1352.cif _cod_data_source_block Cr3Os1 _cod_original_cell_volume 102.7794 _cod_original_formula_sum 'Cr3 Os1' _cod_database_code 2106170 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x+1/2,z+1/2 -x,-y,z y+1/2,-x+1/2,z+1/2 x,-y,-z y+1/2,x+1/2,-z+1/2 -x,y,-z -y+1/2,-x+1/2,-z+1/2 z,x,y -x+1/2,z+1/2,y+1/2 -z,-x,y x+1/2,-z+1/2,y+1/2 z,-x,-y x+1/2,z+1/2,-y+1/2 -z,x,-y -x+1/2,-z+1/2,-y+1/2 y,z,x y,-z,-x z+1/2,y+1/2,-x+1/2 -y,z,-x -z+1/2,-y+1/2,-x+1/2 -y,-z,x z+1/2,-y+1/2,x+1/2 -z+1/2,y+1/2,x+1/2 -x,-y,-z y-1/2,-x-1/2,-z-1/2 x,y,-z -y-1/2,x-1/2,-z-1/2 -x,y,z -y-1/2,-x-1/2,z-1/2 x,-y,z y-1/2,x-1/2,z-1/2 -z,-x,-y x-1/2,-z-1/2,-y-1/2 z,x,-y -x-1/2,z-1/2,-y-1/2 -z,x,y -x-1/2,-z-1/2,y-1/2 z,-x,y x-1/2,z-1/2,y-1/2 -y,-z,-x -y,z,x -z-1/2,-y-1/2,x-1/2 y,-z,x z-1/2,y-1/2,x-1/2 y,z,-x -z-1/2,y-1/2,-x-1/2 z-1/2,-y-1/2,-x-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 Cr1 Cr 0.25 0 0.5 1 0.0 Os1 Os 0 0 0 1 0.0