✍ Scribed by Petříček, Václav; Dušek, Michal
No coin nor oath required. For personal study only.
State of the art is presented in the field of structure analysis of aperiodic crystals. Based on the superspace theory that recovers translation periodicity of aperiodic crystals in a (3 + d)-dimensional space, generalized crystallographic methods have been developed that work analogous to standard tools in the classical crystallography. After introducing the basic types of modulations their combination and possible discontinuity is discussed as well as the basic concepts of composite structures. The ways of solution of modulated structures are described with special emphasis to the heavy atom method as an instructive example. The potential of the refinement methods is perspicuous in the example of hexagonal perovskite structure with discontinuous modulation functions and modulated anharmonic ADP. Finally we describe the basic features of the computing system Jana2000 that is the most used program in the field.
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