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Ab Initio Structure Determination of Quasicrystals via Single Crystal X-Ray Diffraction

  • Hiroyuki Takakura (a1), Akiji Yamamoto (a1), Marc de Boissieu (a2), Taku J Sato (a3) and An Pang Tsai (a3)...

Abstract

A standard approach for structure solution of ordinary crystals begins with solving the phase problem. We show that a similar procedure can be taken even in the case of quasicrystals using single crystal X-ray diffraction by applying an ab initio structure determination method called the low density elimination method. The first picture of the occupation domains, which must be specified in a higher-dimensional structure determination of quasicrystals, is obtained from a phase-reconstructed density. We present six-dimensional densities determined by this method and give their interpretation for several different types of icosahedral quasicrystals.

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Ab Initio Structure Determination of Quasicrystals via Single Crystal X-Ray Diffraction

  • Hiroyuki Takakura (a1), Akiji Yamamoto (a1), Marc de Boissieu (a2), Taku J Sato (a3) and An Pang Tsai (a3)...

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