Ab initio structure determination of quasicrystals via single crystal X-ray diffraction

Hiroyuki Takakura, Akiji Yamamoto, Marc De Boissieu, Taku J. Sato, An Pang Tsai

Research output: Contribution to journalConference articlepeer-review

2 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)73-82
Number of pages10
JournalMaterials Research Society Symposium - Proceedings
Publication statusPublished - 2003
EventQuasicrystals 2003 - Preparation, Properties and Applications - Boston, MA., United States
Duration: 2003 Dec 12003 Dec 3


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