#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/08/1530873.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_1530873 loop_ _publ_author_name 'Thompson, P.' 'Reilly, J.J.' 'Reidinger, F.' 'Hastings, J.M.' 'Corliss, L.M.' _publ_section_title ; Neutron diffraction study of gamma iron titanium deuteride ; _journal_name_full 'Journal of Physics F' _journal_page_first 61 _journal_page_last 66 _journal_volume 9 _journal_year 1979 _chemical_formula_sum 'D1.93 Fe Ti' _chemical_name_systematic 'Fe Ti D1.93' _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 96.97 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.7044 _cell_length_b 2.8301 _cell_length_c 4.7044 _cell_volume 62.171 _citation_journal_id_ASTM JPFMAT _cod_data_source_file Thompson_JPFMAT_1979_454.cif _cod_data_source_block D1.93Fe1Ti1 _cod_original_cell_volume 62.17114 _cod_original_formula_sum 'D1.93 Fe1 Ti1' _cod_database_code 1530873 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 D1 D 0 0 0 1 0.0 D2 D 0.5 0 0 1 0.0 Ti1 Ti 0.294 0.5 0.229 1 0.0 D4 D 0 0.5 0.5 0.85 0.0 D3 D 0.5 0 0.5 1 0.0 Fe1 Fe 0.203 0 0.721 1 0.0