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The Normalized Reduced Form and Cell Mathematical Tools for Lattice Analysis—Symmetry and Similarity

To intelligently and effectively use crystallographic databases, mathematical and computer tools are required that can elucidate diverse types of intra- and interlattice relationships. Two such tools are the normalized reduced form and normalized reduced cell. Practical experience has revealed that...

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Detalles Bibliográficos
Autor principal: Mighell, Alan D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: [Gaithersburg, MD] : U.S. Dept. of Commerce, National Institute of Standards and Technology 2003
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4844519/
https://www.ncbi.nlm.nih.gov/pubmed/27413622
http://dx.doi.org/10.6028/jres.108.039
Descripción
Sumario:To intelligently and effectively use crystallographic databases, mathematical and computer tools are required that can elucidate diverse types of intra- and interlattice relationships. Two such tools are the normalized reduced form and normalized reduced cell. Practical experience has revealed that the first tool—the normalized reduced form—is very helpful in establishing lattice metric symmetry as it enables one to readily deduce significant relationships between the elements of the reduced form. Likewise research with crystallographic databases has demonstrated that the second tool—the normalized reduced cell—plays a vital role in determining metrically similar lattices. Knowledge of similar lattices has practical value in solving structures, in assignment of structure types, in materials design, and in nano-technology. In addition to using the reduced cell, it is recommended that lattice-matching strategies based on the normalized reduced cell be routinely carried out in database searching, in data evaluation, and in experimental work.