#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/16/1511640.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_1511640 loop_ _publ_author_name 'Kuz'ma, Yu.B.' 'Bruskov, V.A.' 'Mikhalenko, S.I.' _publ_section_title ; Crystal structure of praseodymium rhenium boride (Pr2 Re3 B6) ; _journal_name_full ; Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki ; _journal_page_first 42 _journal_page_last 44 _journal_volume 1986 _journal_year 1986 _chemical_formula_sum 'B6 Pr2 Re3' _chemical_name_systematic 'Pr2 Re3 B6' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 90.84 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.779 _cell_length_b 10.623 _cell_length_c 7.569 _cell_volume 545.010 _citation_journal_id_ASTM DANND6 _cod_data_source_file boron4-x_293.cif _cod_data_source_block B6Pr2Re3 _cod_original_cell_volume 545.0102 _cod_database_code 1511640 loop_ _symmetry_equiv_pos_as_xyz 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 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 Re1 Re 0.5 0.0852 0.25 1 0.0 Pr1 Pr 0.2338 0.3252 0.1729 1 0.0 Re2 Re 0.1028 0.0916 0.4119 1 0.0 B1 B 0.792 0.042 0.375 1 0.0 B3 B 0.583 0.042 0.958 1 0.0 B2 B 0.625 0.208 0 1 0.0