Ab initio reconstruction of difference densities by charge flipping

The charge-flipping algorithm in its `band-flipping' variant is used to reconstruct density difference between a superstructure and average structure from superstructure reflections only. This technique can be used for the structure solution of superstructures, some types of twins and intergrowths of polytypes as well as for the solution of modulated structures and superstructures of quasicrystals.

Pushing the limits of powder charge flipping

Incommensurate tiling in η′-Cu_3+x(Si,Ge) determined by electron diffraction

α-'NaLuF₄': six-fold twinning with modulation and diffuse scattering

The disordered and modulated crystal structure of the zeolite SSZ-57