Symmetry-mode analysis for local structure investigations using pair distribution function data
Symmetry-mode analysis for local structure investigations using pair distribution function data
Symmetry-adapted distortion modes provide a natural way of describing distorted structures derived from higher-symmetry parent phases. Structural refinements using symmetry-mode amplitudes as fit variables have been used for at least ten years in Rietveld refinements of the average crystal structure from diffraction data; more recently, this approach has also been …