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关于空间群判断失误的札记I.最小素单胞的选取
On the Incorrect Assignment of Space Groups. I. Choosing the Smallest Primitive Unit Cell

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关于空间群判断失误的札记I.最小素单胞的选取.pdf (191.6Kb)
Date
1999
Author
胡盛志
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  • 化学化工-已发表论文 [14469]
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Abstract
导出反映晶体结构周期的最小素单胞是正确判断空间群的第一步,其中以还原单胞的选择最为理想。它不仅具有选择的唯一性,且便于确定布拉维格子的类型。本文还讨论单胞选取过小和过大的实例,并给出正确的单胞和空间群以及原子坐标。
 
Deriving the smallest primitive unit cells, necessary to describe the translational periodicity of a crystal structure, is the first step toward choosing the correct space group.Among these smallest cells, only the reduced cell is unique and useful in selection of a Bravais lattice.Examples of both too small and too large a cell selected are illustrated, and the correct space groups and atomic coordinates are also given.\;
 
Citation
结构化学,1999,(6):75-80
URI
https://dspace.xmu.edu.cn/handle/2288/107687

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