International
Tables for Crystallography Volume C Mathematical, physical and chemical tables Edited by E. Prince © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. C. ch. 5.5, pp. 541-551
https://doi.org/10.1107/97809553602060000599 Chapter 5.5. Neutron methods
B. T. M. Willisa
a Chemical Crystallography Laboratory, University of Oxford, 9 Parks Road, Oxford OX1 3PD, England Some comments are given on the derivation of lattice parameters from neutron powder patterns. Keywords: diffractometers; high-resolution powder diffractometers; lattice-parameter determination; neutron diffraction; neutron powder diffractometers; powder-pattern indexing; Rietveld method. |
In general, one would not expect to measure lattice parameters as precisely with neutrons as with X-rays. The main reason for this is the need to relax the resolution of the diffraction peaks observed in neutron diffraction, in order to obtain reasonable count rates. However, the high-resolution powder diffractometer D2B (on the reactor source at the Institut Laue–Langevin) and the high-resolution powder instrument HRPD (on the pulsed source at the Rutherford Appleton Laboratory) have resolutions approaching that of X-ray diffractometers. Using Rietveld refinement, lattice parameters can be determined to a precision of a few parts in 104 (Fischer et al., 1986).
Neutron methods are better suited to the indexing of the powder pattern. This requires the accurate measurement of the d spacings of the lowest-index lines in the pattern. Whereas d spacings measured with X-rays at low values of (sin θ)/λ tend to have systematic errors, this is not such a serious problem with neutrons. It is relatively straightforward, using the time-of-flight pulsed-neutron method, to measure the d spacings of the first 20–30 lines of a powder pattern to better than 0.1%.
References
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