Abstract

We propose a number of approaches for refining unit cell parameters of single crystals using serial laboratory diffractometers equipped with 2D detectors and discuss the corresponding mathematical apparatus for processing the obtained results. The approaches are demonstrated on the example of orthorhombic LiCsMo₃O₁₀ crystals grown by the low-gradient Czochralski method using two different seed orientations but being identical in terms of the XRD analysis. It is shown that unit cell parameters of the crystals coincide within the estimated measurement error. The temperature dependence of unit cell parameters in the temperature range 90-450 K is studied, the view of the elements of the thermal expansion tensor is determined. The changes in the structural characteristics of LiCsMo₃O₁₀ in the studied temperature range are discussed.