Crystal structure refinement from electron diffraction data

Dudka AP; Avilov AS; Lepeshov GG

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Crystal structure refinement from electron diffraction data

机译：通过电子衍射数据细化晶体结构

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A procedure of crystal structure refinement from electron diffraction data is described. The electron diffraction data on polycrystalline films are processed taking into account possible overlap of reflections and two-beam interaction. The diffraction from individual single crystals in an electron microscope equipped with a precession attachment is described using the Bloch-wave method, which takes into account multibeam scattering, and a special approach taking into consideration the specific features of the diffraction geometry in the precession technique. Investigations were performed on LiF, NaF CaF2, and Si crystals. A method for reducing experimental data, which allows joint electron and X-ray diffraction study, is proposed.

机译：描述了根据电子衍射数据细化晶体结构的过程。考虑到反射的可能重叠和两束相互作用，对多晶膜上的电子衍射数据进行处理。使用布洛赫波方法描述了配备了进动附件的电子显微镜中单个单晶的衍射，该方法考虑了多光束散射，并且考虑到了进动技术中衍射几何的特定特征，采用了特殊方法。对LiF，NaF CaF2和Si晶体进行了研究。提出了一种减少实验数据的方法，该方法可以进行电子和X射线衍射研究。

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来源
《Crystallography reports》 |2008年第3期|共7页
作者
Dudka AP; Avilov AS; Lepeshov GG;
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正文语种 eng
中图分类晶体学;
关键词
REDUCED DATA; QUANTITATIVE-ANALYSIS; INTENSITIES; SYSTEM; ATOMS; MODEL;

机译：数据减少;定量分析;强度;系统;原子;模型;

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1. The structure of cubic MOF [{Ca(H_2O)_6}{CaGd(oxydiacetate)3}2]·4H_2O. A comparison between structural models obtained from Rietveld refinement of conventional and synchrotron X-ray powder diffraction data and standard refinement of single-crystal X-ray diffraction data [J] . Leopoldo Suescun, Jun Wang, Ricardo Faccio, Powder diffraction . 2012,第4期

机译：立方MOF [{Ca（H_2O）_6} {CaGd（双氧乙酸）3} 2]·4H_2O的结构。从常规和同步加速器X射线粉末衍射数据的Rietveld精炼与单晶X射线衍射数据的标准精炼获得的结构模型之间的比较
2. Ab-initio crystal structure analysis and refinement approaches of oligo p-benzamides based on electron diffraction data [J] . Gorelik T.E., Van De Streek J., Kilbinger A.F.M., Acta Crystallographica, Section B. Structural Science . 2012,第2期

机译：基于电子衍射数据的低聚对苯甲酰胺从头算晶体结构分析和提纯方法
3. Ab-initio crystal structure analysis and refinement approaches of oligo p-benzamides based on electron diffraction data [J] . Tatiana E. Gorelik Jacco van de Streek Andreas F. M. Kilbinger Gunther Brunklaus Ute Kolb Acta Crystallographica Section B . 2012,第2期

机译：基于电子衍射数据的低聚对苯甲酰胺从头算晶体结构分析和提纯方法
4. Least Squares Refinement of Structures From Dynamic Electron Diffraction Data [C] . H.W. andbergen, J. Jansen NATO Advanced Study Institute on Electron Crystallography Erice, Sicily 22 May-2 June, 1997 . 1997

机译：基于动态电子衍射数据的结构的最小二乘法
5. Crystal structures of various organic materials and a statistical analysis of single crystal X -ray diffraction data from potassium -doped barium plumbate. [D] . May, Jerome Gerard. 2000

机译：各种有机材料的晶体结构和掺钾铅酸钡钡的单晶X射线衍射数据的统计分析。
6. Direct determination of crystallographic phases for diffraction data from lipid bilayers. II. Refinement of phospholipid structures. [O] . D L Dorset 1991

机译：直接测定晶体相以分析来自脂双层的衍射数据。二。精制磷脂结构。
7. Ab-initio crystal structure analysis and refinement approaches of oligo p-benzamides based on electron diffraction data [O] . Gorelik, Tatiana E., Streek, Jacco van de, Kilbinger, Andreas F. M., 2012

机译：基于电子衍射数据的低聚对苯甲酰胺从头算晶体结构分析和提纯方法

Crystal structure refinement from electron diffraction data

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