#------------------------------------------------------------------------------ #$Date: 2016-02-16 16:55:33 +0000 (Tue, 16 Feb 2016) $ #$Revision: 176466 $ #$URL: svn://www.crystallography.net/cod/cif/8/00/00/8000084.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_8000084 loop_ _publ_author_name 'Yajima, S.' 'Niihara, K.' 'Katayama, Y.' _publ_section_title ; The Y Ni4 B compound in yttrium-nickel-boron system ; _journal_name_full 'Chemistry Letters' _journal_page_first 613 _journal_page_last 614 _journal_volume 1973 _journal_year 1973 _chemical_formula_sum 'B Ni4 Y' _chemical_name_systematic 'Y Ni4 B' _space_group_IT_number 191 _symmetry_space_group_name_Hall '-P 6 2' _symmetry_space_group_name_H-M 'P 6/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 4.4977 _cell_length_b 4.4977 _cell_length_c 6.942 _cell_volume 121.618 _citation_journal_id_ASTM CMLTAG _cod_data_source_file boron0-1_388.cif _cod_data_source_block B1Ni4Y1 _cod_original_cell_volume 121.6175 _cod_original_formula_sum 'B1 Ni4 Y1' _cod_database_code 8000084 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z -y,x-y,z -x,-y,z -x+y,-x,z y,-x+y,z -y,-x,-z x-y,-y,-z x,x-y,-z y,x,-z -x+y,y,-z -x,-x+y,-z -x,-y,-z -x+y,-x,-z y,-x+y,-z x,y,-z x-y,x,-z -y,x-y,-z y,x,z -x+y,y,z -x,-x+y,z -y,-x,z x-y,-y,z x,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 Ni1 Ni 0.3333 0.6667 0 1 0.0 B1 B 0.3333 0.6667 0.5 1 0.0 Y1 Y 0 0 0 1 0.0 Ni2 Ni 0.5 0 0.29 1 0.0 Y2 Y 0 0 0.5 1 0.0