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

Journal Article · · Philosophical Magazine (2003, Print)
 [1];  [2];  [3];  [3];  [3]
  1. Univ. of Augsburg, Augsburg (Germany). Inst. of Physics, Center for Electronic Correlations and Magnetism; Ames Lab., Ames, IA (United States)
  2. Univ. of Augsburg, Augsburg (Germany). Inst. of Physics, Center for Electronic Correlations and Magnetism
  3. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy
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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 200 μm 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. Finally, 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.

Research Organization:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC02-07CH11358
OSTI ID:
1326833
Report Number(s):
IS-J-9060
Journal Information:
Philosophical Magazine (2003, Print), Vol. 96, Issue 20; ISSN 1478-6435
Publisher:
Taylor & FrancisCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 23 works
Citation information provided by
Web of Science

References (10)

First-order structural phase transition in CaFe 2 As 2 journal July 2008
Fermi surface reconstruction in ( Ba 1 − x K x ) Fe 2 As 2   ( 0.44 ≤ x ≤ 1 ) probed by thermoelectric power measurements journal June 2014
Combined effects of transition metal (Ni and Rh) substitution and annealing/quenching on the physical properties of CaFe 2 As 2 journal August 2014
Single crystal growth from light, volatile and reactive materials using lithium and calcium flux journal April 2014
Epitaxial films of semiconducting FeSi 2 on (001) silicon journal May 1990
A fast X-ray method to determine Ge content and relaxation of partly relaxed Si1–xGex layers on silicon substrates journal January 1994
Migration-induced field-stabilized polar phase in strontium titanate single crystals at room temperature journal July 2013
High-precision absolute lattice parameter determination of SrTiO 3 , DyScO 3 and NdGaO 3 single crystals journal January 2012
EXPGUI , a graphical user interface for GSAS journal April 2001
Combined effects of transition metal (Ni and Rh) substitution and annealing/quenching on physical properties of CaFe$_{2}$As$_{2}$ text January 2014

Cited By (6)

Pressure-induced enhancement in the superconductivity of ZrTe 3 journal August 2018
Ce 3 − x Mg x Co 9 : Transformation of a Pauli Paramagnet into a Strong Permanent Magnet journal February 2018
Anisotropic thermodynamic and transport properties of single-crystalline CaKFe 4 As 4 journal August 2016
Optimization of the crystal growth of the superconductor CaKFe 4 As 4 from solution in the FeAs − CaFe 2 As 2 − KFe 2 As 2 system journal June 2017
Near room temperature antiferromagnetic ordering with a potential low-dimensional magnetism in AlMn 2 B 2 journal June 2019
Hedgehog spin-vortex crystal stabilized in a hole-doped iron-based superconductor text January 2017

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46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY
X-Ray diffraction
single crystal
lattice parameter determination
powder diffractometer