Solving a 3-dimensional quasicrystal structure in 6-dimensional space using the direct method

Fu Zheng-qing, Li Fang-hua and Fan Hai-fu


A direct method was tested in solving the structure of a 3-dimensional quasicrystal in 6-dimensional space. Theoretical 3-dimensional diffraction data were used which contain Gaussian distribution errors with a mean error of about 20% for intensities. The diffraction data were firstly converted to a set of 6-dimensional structure factors. The window fuhction used for the conversion was measured from the Patterson origin peak in pseudo space. A direct method was then applied to solve the phase problem in 6-dimensional space. Test results showed that the procedure is very efficient.

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Zeitschrift für Kristallographie – Crystalline Materials offers a place for researchers to present results of their crystallographic studies. The journal includes theoretical as well as experimental research. It publishes Original Papers, Letters and Review Articles in manifold areas of crystallography.