#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/15/1511514.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_1511514 loop_ _publ_author_name 'Rogl, P.' _publ_section_title ; The crystal structure of Sc2 Ru5 B4 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 262 _journal_page_last 269 _journal_paper_doi 10.1016/0022-4596(84)90276-7 _journal_volume 55 _journal_year 1984 _chemical_formula_sum 'B4 Ru5 Sc2' _chemical_name_systematic 'Ru5 Sc2 B4' _space_group_IT_number 10 _symmetry_space_group_name_Hall '-P 2y' _symmetry_space_group_name_H-M 'P 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 90.01 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.4859 _cell_length_b 3.0001 _cell_length_c 9.9833 _cell_volume 254.160 _citation_journal_id_ASTM JSSCBI _cod_data_source_file boron4-x_144.cif _cod_data_source_block B4Ru5Sc2 _cod_original_cell_volume 254.1603 _cod_database_code 1511514 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,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 Ru2 Ru 0.5 0 0 1 0.0 Ru1 Ru 0 0 0.5 1 0.0 B2 B 0.4686 0.5 0.4107 1 0.0 B4 B 0.966 0.5 0.0903 1 0.0 Sc1 Sc 0.1582 0.5 0.3178 1 0.0 Ru5 Ru 0.4044 0 0.2619 0.98 0.0 B3 B 0.8462 0.5 0.4011 1 0.0 Ru4 Ru 0.6603 0 0.4526 0.97 0.0 Sc2 Sc 0.6577 0.5 0.1814 1 0.0 Ru3 Ru 0.1606 0 0.0477 1 0.0 B1 B 0.3493 0.5 0.103 1 0.0 Ru6 Ru 0.9041 0 0.2385 1 0.0