在现代衍射仪中实现Bond方案测量小单晶单晶胞参数时样品偏心的考虑

IF 1.2 4区化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Structural Chemistry Pub Date : 2024-12-27 DOI:10.1134/S0022476624120102

A. L. Kudryavtsev, S. A. Gromilov

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引用次数: 0

摘要

本文讨论了在装有三圆角计和二维探测器的商用衍射仪上用Bond方法测量小晶体单晶参数的方法学问题。研究了样品偏心率对绕φ和ω轴旋转时x射线衍射反射位置的影响。该方法是通过沿ω轴定位一个晶体学方向来消除与绕φ轴旋转有关的样品偏心的影响。本文测量了参考Si和Ge单晶的晶胞参数，相对误差Δa/a不大于6.5·10-5。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

$Consideration of the Sample Eccentricity in the Measurement of Unit Cell Parameters of Small Single Crystals in Bond’s Scheme Implemented in Modern Diffractometers$

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Consideration of the Sample Eccentricity in the Measurement of Unit Cell Parameters of Small Single Crystals in Bond’s Scheme Implemented in Modern Diffractometers

We discuss the methodological questions of measuring unit cell parameters of small crystals in Bond’s scheme on a commercial diffractometer equipped with a three-circle goniometer and a 2D detector. The effect of the sample eccentricity on the positions of X-ray diffraction reflections during rotation about φ and ω axes is examined. The approach is developed to eliminate the effect of the sample eccentricity related to rotation about the φ axis by positioning one of the crystallographic directions along the ω axis. The unit cell parameters are measured for the reference Si and Ge single crystals used in this work with relative error Δa/a no worse than 6.5·10^–5.

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来源期刊

Journal of Structural Chemistry 化学-无机化学与核化学

CiteScore

1.60

自引率

12.50%

发文量

142

审稿时长

8.3 months

期刊介绍： Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.