#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/26/1522696.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_1522696 loop_ _publ_author_name 'Pietrokowsky, P.' _publ_section_title ; Novel ordered phase, Pt8 Ti ; _journal_name_full 'Nature (London)' _journal_page_first 291 _journal_page_last 291 _journal_volume 206 _journal_year 1965 _chemical_formula_sum 'Pt8 Ti' _chemical_name_systematic 'Pt8 Ti' _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.312 _cell_length_b 8.312 _cell_length_c 3.897 _cell_volume 269.241 _citation_journal_id_ASTM NATUAS _cod_data_source_file Pietrokowsky_NATUAS_1965_1861.cif _cod_data_source_block Pt8Ti1 _cod_original_cell_volume 269.2412 _cod_original_formula_sum 'Pt8 Ti1' _cod_database_code 1522696 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+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 Pt1 Pt 0.333 0.333 0 1 0.0 Ti1 Ti 0 0 0 1 0.0 Pt2 Pt 0.327 0 0 1 0.0