#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/76/1537655.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_1537655 loop_ _publ_author_name 'Cannon, J.F.' 'Robertson, D.L.' 'Hall, H.T.' _publ_section_title ; The effect of high pressure on the formation of L Ru2 and L Os2 (L=Lanthanide) compounds ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 141 _journal_page_last 146 _journal_volume 29 _journal_year 1972 _chemical_formula_sum 'Pr Ru2' _chemical_name_systematic 'Pr Ru2' _space_group_IT_number 227 _symmetry_space_group_name_Hall 'F 4d 2 3 -1d' _symmetry_space_group_name_H-M 'F d -3 m :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 7.623 _cell_length_b 7.623 _cell_length_c 7.623 _cell_volume 442.974 _citation_journal_id_ASTM JCOMAH _cod_data_source_file Cannon_JCOMAH_1972_1462.cif _cod_data_source_block Pr1Ru2 _cod_original_cell_volume 442.9735 _cod_original_sg_symbol_Hall '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)' _cod_original_formula_sum 'Pr1 Ru2' _cod_database_code 1537655 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/4,x+1/4,z+1/4 -x,-y+1/2,z+1/2 y+3/4,-x+1/4,z+3/4 x,-y+1/2,-z+1/2 y+3/4,x+1/4,-z+3/4 -x,y,-z -y+1/4,-x+1/4,-z+1/4 z,x,y -x+1/4,z+1/4,y+1/4 -z,-x+1/2,y+1/2 x+3/4,-z+1/4,y+3/4 z,-x+1/2,-y+1/2 x+3/4,z+1/4,-y+3/4 -z,x,-y -x+1/4,-z+1/4,-y+1/4 y,z,x y+1/2,-z,-x+1/2 z+1/4,y+3/4,-x+3/4 -y+1/2,z+1/2,-x -z+1/4,-y+3/4,-x+3/4 -y+1/2,-z+1/2,x z+1/4,-y+1/4,x+1/4 -z+3/4,y+1/4,x+3/4 -x+1/4,-y+1/4,-z+1/4 y,-x,-z x+1/4,y-1/4,-z-1/4 -y-1/2,x,-z-1/2 -x+1/4,y-1/4,z-1/4 -y-1/2,-x,z-1/2 x+1/4,-y+1/4,z+1/4 y,x,z -z+1/4,-x+1/4,-y+1/4 x,-z,-y z+1/4,x-1/4,-y-1/4 -x-1/2,z,-y-1/2 -z+1/4,x-1/4,y-1/4 -x-1/2,-z,y-1/2 z+1/4,-x+1/4,y+1/4 x,z,y -y+1/4,-z+1/4,-x+1/4 -y-1/4,z+1/4,x-1/4 -z,-y-1/2,x-1/2 y-1/4,-z-1/4,x+1/4 z,y-1/2,x-1/2 y-1/4,z-1/4,-x+1/4 -z,y,-x z-1/2,-y,-x-1/2 x,y+1/2,z+1/2 -y+1/4,x+3/4,z+3/4 -x,-y+1,z+1 y+3/4,-x+3/4,z+5/4 x,-y+1,-z+1 y+3/4,x+3/4,-z+5/4 -x,y+1/2,-z+1/2 -y+1/4,-x+3/4,-z+3/4 z,x+1/2,y+1/2 -x+1/4,z+3/4,y+3/4 -z,-x+1,y+1 x+3/4,-z+3/4,y+5/4 z,-x+1,-y+1 x+3/4,z+3/4,-y+5/4 -z,x+1/2,-y+1/2 -x+1/4,-z+3/4,-y+3/4 y,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1 z+1/4,y+5/4,-x+5/4 -y+1/2,z+1,-x+1/2 -z+1/4,-y+5/4,-x+5/4 -y+1/2,-z+1,x+1/2 z+1/4,-y+3/4,x+3/4 -z+3/4,y+3/4,x+5/4 -x+1/4,-y+3/4,-z+3/4 y,-x+1/2,-z+1/2 x+1/4,y+1/4,-z+1/4 -y-1/2,x+1/2,-z -x+1/4,y+1/4,z+1/4 -y-1/2,-x+1/2,z x+1/4,-y+3/4,z+3/4 y,x+1/2,z+1/2 -z+1/4,-x+3/4,-y+3/4 x,-z+1/2,-y+1/2 z+1/4,x+1/4,-y+1/4 -x-1/2,z+1/2,-y -z+1/4,x+1/4,y+1/4 -x-1/2,-z+1/2,y z+1/4,-x+3/4,y+3/4 x,z+1/2,y+1/2 -y+1/4,-z+3/4,-x+3/4 -y-1/4,z+3/4,x+1/4 -z,-y,x y-1/4,-z+1/4,x+3/4 z,y,x y-1/4,z+1/4,-x+3/4 -z,y+1/2,-x+1/2 z-1/2,-y+1/2,-x x+1/2,y,z+1/2 -y+3/4,x+1/4,z+3/4 -x+1/2,-y+1/2,z+1 y+5/4,-x+1/4,z+5/4 x+1/2,-y+1/2,-z+1 y+5/4,x+1/4,-z+5/4 -x+1/2,y,-z+1/2 -y+3/4,-x+1/4,-z+3/4 z+1/2,x,y+1/2 -x+3/4,z+1/4,y+3/4 -z+1/2,-x+1/2,y+1 x+5/4,-z+1/4,y+5/4 z+1/2,-x+1/2,-y+1 x+5/4,z+1/4,-y+5/4 -z+1/2,x,-y+1/2 -x+3/4,-z+1/4,-y+3/4 y+1/2,z,x+1/2 y+1,-z,-x+1 z+3/4,y+3/4,-x+5/4 -y+1,z+1/2,-x+1/2 -z+3/4,-y+3/4,-x+5/4 -y+1,-z+1/2,x+1/2 z+3/4,-y+1/4,x+3/4 -z+5/4,y+1/4,x+5/4 -x+3/4,-y+1/4,-z+3/4 y+1/2,-x,-z+1/2 x+3/4,y-1/4,-z+1/4 -y,x,-z -x+3/4,y-1/4,z+1/4 -y,-x,z x+3/4,-y+1/4,z+3/4 y+1/2,x,z+1/2 -z+3/4,-x+1/4,-y+3/4 x+1/2,-z,-y+1/2 z+3/4,x-1/4,-y+1/4 -x,z,-y -z+3/4,x-1/4,y+1/4 -x,-z,y z+3/4,-x+1/4,y+3/4 x+1/2,z,y+1/2 -y+3/4,-z+1/4,-x+3/4 -y+1/4,z+1/4,x+1/4 -z+1/2,-y-1/2,x y+1/4,-z-1/4,x+3/4 z+1/2,y-1/2,x y+1/4,z-1/4,-x+3/4 -z+1/2,y,-x+1/2 z,-y,-x x+1/2,y+1/2,z -y+3/4,x+3/4,z+1/4 -x+1/2,-y+1,z+1/2 y+5/4,-x+3/4,z+3/4 x+1/2,-y+1,-z+1/2 y+5/4,x+3/4,-z+3/4 -x+1/2,y+1/2,-z -y+3/4,-x+3/4,-z+1/4 z+1/2,x+1/2,y -x+3/4,z+3/4,y+1/4 -z+1/2,-x+1,y+1/2 x+5/4,-z+3/4,y+3/4 z+1/2,-x+1,-y+1/2 x+5/4,z+3/4,-y+3/4 -z+1/2,x+1/2,-y -x+3/4,-z+3/4,-y+1/4 y+1/2,z+1/2,x y+1,-z+1/2,-x+1/2 z+3/4,y+5/4,-x+3/4 -y+1,z+1,-x -z+3/4,-y+5/4,-x+3/4 -y+1,-z+1,x z+3/4,-y+3/4,x+1/4 -z+5/4,y+3/4,x+3/4 -x+3/4,-y+3/4,-z+1/4 y+1/2,-x+1/2,-z x+3/4,y+1/4,-z-1/4 -y,x+1/2,-z-1/2 -x+3/4,y+1/4,z-1/4 -y,-x+1/2,z-1/2 x+3/4,-y+3/4,z+1/4 y+1/2,x+1/2,z -z+3/4,-x+3/4,-y+1/4 x+1/2,-z+1/2,-y z+3/4,x+1/4,-y-1/4 -x,z+1/2,-y-1/2 -z+3/4,x+1/4,y-1/4 -x,-z+1/2,y-1/2 z+3/4,-x+3/4,y+1/4 x+1/2,z+1/2,y -y+3/4,-z+3/4,-x+1/4 -y+1/4,z+3/4,x-1/4 -z+1/2,-y,x-1/2 y+1/4,-z+1/4,x+1/4 z+1/2,y,x-1/2 y+1/4,z+1/4,-x+1/4 -z+1/2,y+1/2,-x z,-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 Ru1 Ru 0.625 0.625 0.625 1 0.0 Pr1 Pr 0 0 0 1 0.0