The application of the Rietveld method to a highly strained material with microtwins: TiFeD_1.9

The Rietveld method has been modified to incorporate line broadening from strains, particle size and microtwins. It has been applied to TiFeD_1.9. The structure was determined to be orthorhombic [a₀ = 7.0426 (2), b₀ = 6.2371 (2), c₀ = 2.8315 (1) Å] in space group Cmmm, in agreement with recent studies. The material is heavily twinned on the (110) planes with an average distance between twin planes of 24 Å.