#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/16/1511672.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_1511672 loop_ _publ_author_name 'Aksel'rud, L.G.' 'Mykhalenko, S.I.' 'Kuz'ma, Yu.B.' _publ_section_title ; Redetermination of the structure of the compound Y3ReB7 and Related Compounds ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 29 _journal_page_last 35 _journal_volume 117 _journal_year 1986 _chemical_formula_sum 'B7 Fe Y3' _chemical_name_systematic 'Y3 Fe B7' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 3.423 _cell_length_b 15.859 _cell_length_c 9.396 _cell_volume 510.065 _citation_journal_id_ASTM JCOMAH _[local]_cod_data_source_file boron4-x_331.cif _[local]_cod_data_source_block B7Fe1Y3 _[local]_cod_chemical_formula_sum_orig 'B7 Fe1 Y3' _cod_original_cell_volume 510.0652 _cod_database_code 1511672 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -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 -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 B1 B 0 0.275 0.024 1 0.0 B2 B 0 0.366 0.353 1 0.0 Y1 Y 0 0.1061 0.0552 1 0.0 Fe1 Fe 0 0.9468 0.25 1 0.0 Y2 Y 0 0.758 0.25 1 0.0 B3 B 0 0.48 0.406 1 0.0 B4 B 0 0.543 0.25 1 0.0 _journal_paper_doi 10.1016/0022-5088(86)90007-X