Crystal Structure of Non-molecular Compounds from Powder Diffraction

نویسنده

  • Radovan erný
چکیده

Methods of structure determination from powder diffraction of non-molecular compounds (inorganics, extended solids, intermetallic compounds, etc.) are reviewed. They work either in reciprocal space or in direct space. Those working in reciprocal space use algorithms known from single crystal works (direct methods and Patterson synthesis) and need decomposition of powder patterns to individual reflections. Those working in direct space need no powder pattern decomposition and are based on global optimization of a structural model to improve agreement between the observed and calculated diffraction patterns. The available computer programs working in direct space are summarized.

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تاریخ انتشار 2006