X-Ray diffraction on large single crystals using a powder diffractometer
X-Ray diffraction on large single crystals using a powder diffractometer
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DOI：
10.1080/14786435.2016.1192725
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发表时间：
2016-01-01
影响因子：
1.6
通讯作者：
Canfield, P. C.
中科院分区：
文献类型：
--
作者：
Jesche, A.;Fix, M.;Canfield, P. C.
已知晶体结构的单晶的晶格参数信息可以用来估计样品的质量和成分。在许多情况下，确定一个晶格参数或沿着沿着高对称性方向的晶格间距就足够了，例如，为了利用Vegard规则确定置换系列中的组成。在这里，我们提出了一个指南，以准确测量单晶的尺寸范围从200米到几毫米使用标准粉末衍射仪在布拉格布伦塔诺几何。详细讨论了样品高度引入的误差的校正和对准的优化。特别是对于具有板状习性的单晶，所描述的程序允许在分钟的时间尺度上以高精度测量垂直于板的晶格间距。
Information on the lattice parameter of single crystals with known crystallographic structure allows for estimations of sample quality and composition. In many cases, it is sufficient to determine one lattice parameter or the lattice spacing along a certain, high-symmetry direction, e.g. in order to determine the composition in a substitution series by taking advantage of Vegard's rule. Here we present a guide to accurate measurements of single crystals with dimensions ranging from 200m up to several millimetres using a standard powder diffractometer in Bragg-Brentano geometry. The correction of the error introduced by the sample height and the optimisation of the alignment are discussed in detail. In particular for single crystals with a plate-like habit, the described procedure allows for measurement of the lattice spacings normal to the plates with high accuracy on a timescale of minutes.