Powder neutron diffraction study of nickel-titanium martensite

The structure of the martensitic phase of the shape memory alloy NiTi has been determined from a power neutron diffraction study at 10K. The lattice is monoclinic, space group P21/m(C2h2) with a=2.884(2) AA, b=4.110(2) AA, c=4.665(3) AA, beta =98.10(4) degrees and Z=2. The structure has been refined to an RWP=0.12; remaining discrepancies are associated with shape memory effects and are discussed in relation to the phase transition.