Atomic thermal parameters of TiN by powder elastic neutron diffraction

For the first time, the difference between the thermal parameters of metal and nonmetal ions has been positively established by high-resolution neutron diffraction measurements on a powder sample of TiN. Measurements were made on a double- as well as triple-axis neutron spectrometer. The data were analysed by the Rietveld method. The refined occupancy factor indicated a chemical composition of TiN_0.95 (1). The values of the individual temperature factors were B_Ti = 0.209  (13) Å² and B_N = 0.271 (7) Å². The results of the present investigation are compared with the values obtained by X-ray and neutron diffraction techniques.