What you mean by sample shift or sample height is what one corrects
as displacement, isn't it? On a zero-calibrated Siemens D5000 using
Socabim software, in my experience, it is possible to do displacement
corrections on peaks of standard phases in one's samples, e.g.
silicon. The displacement correction feature can be affected through
the graphic interface, i.e. by zooming in on the peak of interest and
simple clicking one's mouse to move the observed peak to where it
should be. Perhaps this is not very accurate mainly because it
relies on one peak and that modelling the displacement on all the
observed peaks of a pure substance is definitely advisable.
I was able to often correct for displacement on geological materials
without adding an internal standard, by simply adjusting on quartz
peaks, because quartz is supposed to be very robust in terms of
incorporation of elements/cations in that it seems to resist this or
if it does, that this does not affect the unit cell dimensions very
much. I don't know if this is adequate for accurate unit-cell size
determination, but it certainly was good enough to establish solid
solution phases, e.g. the mullite series.
Best wishes,
Quirina
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Quirina I. Roode
PhD student: Cement Chemistry
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Department of Civil Engineering
University of the Witwatersrand
P O Wits, 2050, Johannesburg
SOUTH AFRICA
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ROODE@civen.civil.wits.ac.za ( )
Tel: +27-(0)11-716-2478 (w) ) /
Fax: +27-(0)11-339-1762 (w) (_/
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