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

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.
 [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
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 1478-6435
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Philosophical Magazine (2003, Print)
Additional Journal Information:
Journal Name: Philosophical Magazine (2003, Print); Journal Volume: 96; Journal Issue: 20; Journal ID: ISSN 1478-6435
Taylor & Francis
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY X-Ray diffraction; single crystal; lattice parameter determination; powder diffractometer