data_global _amcsd_formula_title 'TiNi' loop_ _publ_author_name 'Sitepu H' _journal_name_full 'Powder Diffraction' _journal_volume 24 _journal_year 2009 _journal_page_first 315 _journal_page_last 326 _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: Aged ; _database_code_amcsd 0018899 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ti Ni' _cell_length_a 7.34100 _cell_length_b 7.34100 _cell_length_c 5.26996 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 245.951 _exptl_crystal_density_diffrn 6.476 _symmetry_space_group_name_H-M 'P -3' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,-x+y,-z' '-x+y,-x,z' '-x,-y,-z' '-y,x-y,z' 'x-y,x,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ti 0.00000 0.00000 0.00000 0.00640 Ti 0.34100 -0.00670 0.33480 0.00640 Ti 0.33333 0.66667 0.02300 0.00640 Ni 0.00000 0.00000 0.50000 0.01550 Ni 0.32570 -0.01820 0.85580 0.01550 Ni 0.33333 0.66667 0.56100 0.01550