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The structure of orthorhombic (α″) martensitic phase of Ti–8Nb, Ti–12Nb, and Ti–16Nb alloys has been investigated using Rietveld refinement of x-ray diffraction data. The chemical analysis data have been used to determine the site occupancy of initial models. A limit of the Wyckoff positions has been proposed based on the symmetry of the Cmcm space group, which allows the movement of atoms without breaking the space group symmetry. This has also been incorporated in the initial models of experimental alloys, and accordingly Wyckoff positions have been refined. It has been observed that the atoms move along the Y-axis (parallel to the b-axis) and the movement of atoms increases with increase in Nb concentration. The formation of orthorhombic (α″) phase has been explained based on the movement of atoms along the Y-axis. This in turn breaks the hexagonal symmetry and forms an orthorhombic phase.
Banumathy et al. (Sun,) studied this question.