TALP: a l.s. structure solution program of molecular compounds from powder data
نویسندگان
چکیده
منابع مشابه
Crystal Structure of Non-molecular Compounds from Powder Diffraction
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 r...
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A series of new compounds was discovered during the study of a novel solid lithium-ion battery electrolyte system based on succinonitrile. The phases LiX(succinonitrile)2 (X = PF6, AsF6, ClO4) were identified as undesirable phases that formed at low salt concentrations in succinonitrile. The silver analogues of these systems also exist as crystalline phases, but the lithium salts do not share t...
متن کاملStructure determination from powder diffraction data.
Advances made over the past decade in structure determination from powder diffraction data are reviewed with particular emphasis on algorithmic developments and the successes and limitations of the technique. While global optimization methods have been successful in the solution of molecular crystal structures, new methods are required to make the solution of inorganic crystal structures more r...
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An overview of contemporary methods of crystal structure solution from powder diffraction data is given. Methods are compared with respect to their advantages and disadvantages. A choice of an appropriate method is discussed in the light of understanding the structural problem to be solved. The need of the variety of methods for the variety of problems is illustrated by examples. Some direction...
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Recent advances in crystallographic computing and availability of high-resolution diffraction data have made it relatively easy to solve crystal structures from powders that would have traditionally required single crystal samples. The success of direct space methods depends heavily on starting with an accurate molecular model. In this paper we address the applicability of using these methods i...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2011
ISSN: 0108-7673
DOI: 10.1107/s0108767311093202