Abstract

We propose a technique for the refinement of unit cell parameters (UCPs) using a single crystal diffractometer equipped with a flat-panel area detector. The technique is based on choosing Kα₁ components of X-ray radiation when processing diffraction reflections. The capabilities of the technique are demonstrated on [NiEn₃]MoO₄ single crystals. In two independent experiments, the difference between 2θ_exp and 2θ_calc did not exceed 0.02° while the reproducibility of unit cell parameters was at least 0.008 Å.

中文翻译：

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现代实验室衍射仪测定单晶晶胞参数的准确性

摘要

我们提出了一种使用配备平板面积检测器的单晶衍射仪来细化晶胞参数 (UCP) 的技术。该技术基于在处理衍射反射时选择X 射线辐射的K α ₁分量。[Ni En ₃ ]MoO ₄单晶证明了该技术的能力。在两个独立实验中，2θ _exp和 2θ _calc之间的差异不超过 0.02°，而晶胞参数的再现性至少为 0.008 Å。