Abstract

A novel density modification method has been applied to phase reconstruction of X-ray single crystal data of quasicrystals. This is based on the low density elimination (LDE) method that is an ab initio structure determination method for crystals in the real space. The location, size andshape of the occupation domains of quasicrystals in the n-dimensional (nD) unit cell are obtained without a prioi model structure. Therefore, the LDE method can be a substitute for the direct method for quasicrystals that are described as nD crystals. The structure solution can easily be found in the trial sets (normally 100 sets) and is confirmed by the subsequent analysis. The result is used as a starting model for constructing a detailed structure model of quasicrystals. The solution of several qusicrystalline structures including a model quasicrystal structure are exemplified.

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