Electron channeling X-ray microanalysis for partially filled skutterudite structure

Occupancy of Ce atoms on voids and coordinates of Sb atoms in a partially filled skutterudite CeFe6Ni2Sb24 were determined by the method for atomic location by channeling enhanced microanalysis (ALCHEMI), where characteristic X-ray intensities were measured and calculated at various electron incidence directions in a transmission electron microscope. The calculation was based on dynamical electron diffraction and inelastic scattering theories. The calculated intensities were significantly dependent on the occupation probability of Ce atoms on voids, the coordinates of Sb atoms and the sample thickness. Using the Levenberg-Marquardt least squares method, the occupation probability of Ce atoms and the coordinates of Sb atoms were 0.33 and 0 0.336 0.147, respectively.