Solving one-dimensional structures by the algebraic approach

Author:

Cervellino A.,Ciccariello S.

Abstract

AbstractThe algebraic approach is implemented with a procedure able to correct the observed reflection intensities in such a way that the modified intensities yield positive or semi-positive Karle-Hauptman matrices. By the modified intensities it is possible to determine the (almost infinitely resolved) Patterson map. The de-convolution of the latter yields the unit-cell atomic configuration. The procedure works satisfactorily for one-dimensional crystals containing up to twenty atoms in the unit cell.

Publisher

Walter de Gruyter GmbH

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science

Cited by 8 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Determination of small crystal structures from a minimum set of diffraction intensities by homotopy continuation;Acta Crystallographica Section A Foundations and Advances;2015-04-25

2. Ambiguity of structure determination from a minimum of diffraction intensities;Acta Crystallographica Section A Foundations and Advances;2014-05-28

3. Enumeration of one-dimensional crystal structures obtained from a minimum of diffraction intensities;Acta Crystallographica Section A Foundations of Crystallography;2012-03-06

4. Conditional ambiguity of one-dimensional crystal structures determined from a minimum of diffraction intensity data;Acta Crystallographica Section A Foundations of Crystallography;2011-03-25

5. Structure determination without Fourier inversion. Part II: The use of intensity ratios and inequalities;Zeitschrift für Kristallographie - Crystalline Materials;2006-10-01

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