Indexing of multi-particle diffraction data in a high-pressure single-crystal diffraction experiment

被引：5
|
作者：
Li, Hui [1 ]
Li, Xiaodong [2 ]
He, Meng [3 ]
Li, Yanchun [2 ]
Liu, Jing [2 ]
Shen, Guoyin [4 ]
Zhang, Ze [5 ]
机构：
[1] Beijing Univ Technol, Beijing 100124, Peoples R China
[2] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China
[3] Natl Ctr Nanosci & Technol, Beijing 100190, Peoples R China
[4] Argonne Natl Lab, HP CAT, Adv Photon Source, Argonne, IL 60439 USA
[5] Zhejiang Univ, Hangzhou 310014, Zhejiang, Peoples R China
来源：
JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2013年 / 46卷
关键词：
POWDER; ALGORITHM; PROGRAM;
D O I：
10.1107/S0021889812051886
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
High-pressure single-crystal diffraction experiments often suffer from the crushing of single crystals due to the application of high pressure. Consequently, only diffraction data resulting from several particles in random orientations is available, which cannot be routinely indexed by commonly used methods designed for single-crystal data. A protocol is proposed to index such diffraction data. The techniques of powder pattern indexing are first used to propose the possible lattice parameters, and then a genetic algorithm is applied to determine the orientation of the reciprocal lattice for each of the particles. This protocol has been verified experimentally.
引用
收藏
页码：387 / 390
页数：4
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