Charge-density-wave state induced by structural distortion in heavy-fermion compounds Ce₃M₄Sn₁₃ (M=Co, Ru, Rh)

In previous reports a structural transition from a cubic phase of Yb$_3$Rh$_4$Sn$_{13}$ - type to the superlattice variant has been reported at $\sim160$ K for a series of skutterudite-related Ce$_3$M$_4$Sn$_{13}$ compounds, where M=Co, Ru or Rh. We have simulated the low-temperature XRD diffraction patterns of the distorted unit cell using written for that purpose DISTorX program. The method proposed here for x-ray diffraction analysis obtains the XRD patterns from the atomic positions and allows to investigate crystal structure without imposed symmetry operations. We have indicated crystallographic plane where distortion occurs and explained possible origin of CDW in these materials. We have also shown that distortion caused by the charge density wave leads to significantly changes of the intensity of diffraction lines.