Using SXDMEASURE: A New Method for Obtaining Accurate Lattice Parameters on the ISIS SXD Instrument
release_2nksaumcjzd5tookwcq3spq4ju
by
M W Johnson,
Craig Bull,
R J Nelmes,
M J Gutmann,
H Hamidov,
K Komatsu,
M Guthrie,
J S Loveday
2013
Abstract
In this report we describe an improved method for determining the lattice parameters of a single-crystal sample using the neutron Laue time-of-flight (TOF) technique. The new method enables the measurement of unit cell lattice parameters with uncertainties in the range 0.015 – 0.06%. The method also improves the location, and integration, of weak reflections which are often more difficult to discern amongst the increased background at higher neutron energies. The method employs two related computer programs, SXDCALIB and SXDMEASURE. The first of these is used to calibrate the instrument, and the second used to determine the orientation matrix of an unknown sample, using the calibrated instrument parameters. This report describes how to use SXDMEASURE. SXDCALIB and the calibration procedure will be described in a separate report
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