Mighell Alan D
National Institute of Standards and Technology, Gaithersburg, MD 20899-8520.
J Res Natl Inst Stand Technol. 2003 Dec 1;108(6):447-52. doi: 10.6028/jres.108.039. Print 2003 Nov-Dec.
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.
为了智能且有效地使用晶体学数据库，需要数学和计算机工具来阐明晶格内和晶格间的各种关系。归一化简约形式和归一化简约晶胞就是这样的两种工具。实践经验表明，第一种工具——归一化简约形式——在建立晶格度量对称性方面非常有用，因为它能使人们轻松推导出简约形式元素之间的重要关系。同样，对晶体学数据库的研究表明，第二种工具——归一化简约晶胞——在确定度量相似晶格方面起着至关重要的作用。相似晶格的知识在结构求解、结构类型分配、材料设计和纳米技术中具有实际价值。除了使用简约晶胞外，建议在数据库搜索、数据评估和实验工作中，常规地采用基于归一化简约晶胞的晶格匹配策略。
