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How does Topas choose which hkl values to label a peak?
rowlesmr #1
Member since Oct 2011 · 174 posts
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Subject: How does Topas choose which hkl values to label a peak?
Question:
How does Topas decide which hkl values to give to a peak when there are multiple hkl values to choose that give the same d-spacing?

The question arose looking at some graphite[1] diffraction. The carbon literature talks about the (1 1 0) peak. This peak is labelled as (2 -1 0) in Topas. They both have the same d-spacing, and, to my mind, (1 1 0) is a simpler representation than (2 -1 0).

Just wondering.

Matthew

[1]
P63mc
a=2.47
c=6.79
C1 0 0 0
C2 1/3 2/3 0.005
--
Matthew
AlanCoelho #2
Member since Aug 2011 · 250 posts
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Thanks Matthew

The simplest representation should be used. I just checked however and in this case the simplest is not used. I will look into it.

Alan
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