#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/10/1511035.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_1511035 loop_ _publ_author_name 'Fruchart, R.' 'Vaillant, F.' 'Wolfers, P.' 'l'Heritier, P.' 'Dalmas de Reotier, P.' 'Fruchart, D.' 'Coey, J.M.D.' 'Yaouanc, A.' 'Pontonnier, L.' _publ_section_title ; Structural and magnetic properties of RE2 Fe14 BH(D)x; RE - Y, Ce, Er ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 133 _journal_page_last 144 _journal_paper_doi 10.1016/0022-5088(87)90040-3 _journal_volume 129 _journal_year 1987 _chemical_formula_sum 'B Ce2 Fe14' _chemical_name_systematic 'B Ce2 Fe14' _space_group_IT_number 136 _symmetry_space_group_name_Hall '-P 4n 2n' _symmetry_space_group_name_H-M 'P 42/m n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.7602 _cell_length_b 8.7602 _cell_length_c 12.1102 _cell_volume 929.350 _citation_journal_id_ASTM JCOMAH _cod_data_source_file boron0-1_118.cif _cod_data_source_block B1Ce2Fe14 _cod_original_cell_volume 929.35 _cod_original_formula_sum 'B1 Ce2 Fe14' _cod_database_code 1511035 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+1/2,-y+1/2,-z+1/2 y,x,-z -x+1/2,y+1/2,-z+1/2 -y,-x,-z -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-1/2,y-1/2,z-1/2 -y,-x,z x-1/2,-y-1/2,z-1/2 y,x,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 Fe5 Fe 0.723 0.068 0.371 1 0.0 Fe3 Fe 0.412 0.412 0.295 1 0.0 Ce2 Ce 0.732 0.268 0 1 0.0 Fe1 Fe 0 0.5 0 1 0.0 Ce1 Ce 0.145 0.145 0 1 0.0 Fe2 Fe 0 0 0.39 1 0.0 Fe6 Fe 0.46 0.145 0.323 1 0.0 Fe4 Fe 0.183 0.183 0.259 1 0.0 B1 B 0.373 0.373 0 1 0.0