#------------------------------------------------------------------------------ #$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $ #$Revision: 201816 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/40/9014019.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9014019 loop_ _publ_author_name 'Sitepu, H.' _publ_section_title ; Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed ; _journal_name_full 'Powder Diffraction' _journal_page_first 315 _journal_page_last 326 _journal_paper_doi 10.1154/1.3257906 _journal_volume 24 _journal_year 2009 _chemical_compound_source Synthetic _chemical_formula_sum 'Ni0.493 Ti0.507' _space_group_IT_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _symmetry_space_group_name_H-M 'P m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 3.00896 _cell_length_b 3.00896 _cell_length_c 3.00896 _cell_volume 27.243 _database_code_amcsd 0018897 _exptl_crystal_density_diffrn 3.243 _cod_original_sg_symbol_H-M 'P m 3 m' _cod_original_formula_sum 'Ti.507 Ni.493' _cod_database_code 9014019 _amcsd_formula_title TiNi loop_ _space_group_symop_operation_xyz x,y,z z,-x,y -y,z,-x x,-y,z -z,x,-y y,-z,x -x,y,-z x,-z,-y -z,y,x y,-x,-z -x,z,y z,-y,-x -y,x,z x,z,y -z,-y,-x y,x,z -x,-z,-y z,y,x -y,-x,-z z,x,-y -y,-z,x x,y,-z -z,-x,y y,z,-x -x,-y,z -z,x,y y,-z,-x -x,y,z z,-x,-y -y,z,x x,-y,-z -x,z,-y z,-y,x -y,x,-z x,-z,y -z,y,-x y,-x,z -x,-z,y z,y,-x -y,-x,z x,z,-y -z,-y,x y,x,-z -z,-x,-y y,z,x -x,-y,-z z,x,y -y,-z,-x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ti 0.50000 0.50000 0.50000 0.50700 0.00400 Ni 0.00000 0.00000 0.00000 0.49300 0.03290 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0018897