X-Ray diffraction on large single crystals using a powder diffractometer

Abstract

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 suffcient 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 200 $\mu$m up to several millimeter using a standard powder diffractometer in Bragg-Brentano geometry. The correction of the error introduced by the sample height and the optimization 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.

9 pages, 4 figures

References in corpus (4)

• First order structural phase transition in CaFe${}_2$As${}_2$
• Single crystal growth from light, volatile, and reactive materials using lithium and calcium flux
• Fermi surface reconstruction in (Ba${}_{1-x}$K${}_x$)Fe${}_2$As${}_2$ (0.44 $\le x\le$ 1) probed by thermoelectric power measurements
• Combined effects of transition metal (Ni and Rh) substitution and annealing/quenching on physical properties of CaFe${}_2$As${}_2$

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