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: Annealed
;
_database_code_amcsd 0018900
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ti Ni'
_cell_length_a 2.87580
_cell_length_b 4.12644
_cell_length_c 4.6325
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 96.964
_cell_volume 54.567
_exptl_crystal_density_diffrn      6.486
_symmetry_space_group_name_H-M 'P 1 1 21/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,1/2+z'
  'x,y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ti   0.59400   0.29290   0.25000   0.03300
Ni  -0.03340  -0.17600   0.75000   0.01050