#------------------------------------------------------------------------------ #$Date: 2015-09-08 22:33:59 +0300 (Tue, 08 Sep 2015) $ #$Revision: 155308 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/02/1530242.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_1530242 loop_ _publ_author_name 'Lamloumi, J.' 'Percheron-Guegan, A.' 'Lartigue, C.' 'Achard, J.C.' 'Jehanno, G.' _publ_section_title ; Thermodynamic, structural and magnetic properties of La Ni5-x Fex hydrides ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 111 _journal_page_last 122 _journal_volume 130 _journal_year 1987 _chemical_formula_sum 'D5.1 Fe La Ni4' _chemical_name_systematic 'La Ni4 Fe D5.1' _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 1 _cell_length_a 5.376 _cell_length_b 5.376 _cell_length_c 4.21 _cell_volume 105.373 _citation_journal_id_ASTM JCOMAH _cod_data_source_file Lamloumi_JCOMAH_1987_1473.cif _cod_data_source_block D5.1Fe1La1Ni4 _cod_original_cell_volume 105.3735 _cod_chemical_formula_sum_orig 'D5.1 Fe1 La1 Ni4' _cod_database_code 1530242 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 Fe2 Fe 0.5 0 0.5 0.2 0.0 D3 D 0.475 0 0.09 0.21 0.0 La1 La 0 0 0 1 0.0 D2 D 0.144 0.288 0.5 0.35 0.0 Fe1 Fe 0.3333 0.6667 0 0.2 0.0 Ni2 Ni 0.5 0 0.5 0.8 0.0 D1 D 0.3333 0.6667 0.382 0.11 0.0 Ni1 Ni 0.3333 0.6667 0 0.8 0.0