[GSAS-II] Problem with intensities (my previous email)

[Ivo Alxneit]

Dear all

I could resolve my problem by selecting the other possible origin
(translated by (1/4, 1/4, 1/4) for Cu2O. But (being not really a
crystallographer) this confuses me a bit. In my understanding, origin 1
or 2 give just two alternate description of the same structure. It may
be more or less convenient to choose one or the other because both
describe the identical structure. Intensities on the other hand are real
physical properties. Why are they affected by the (free) choice of the
origin? Also, VESTA gives me the opposite pattern than GSASII for the
two different choices of the origin i.e. I get differing pattern for
both choices of the origin.

thanks for any clarification
-- 
Dr. Ivo Alxneit
Catalysis for Energy Group
Bioenergy and Catalysis Laboratory        phone: +41 56 310 4092
Paul Scherrer Institute                     fax: +41 56 310 2688
CH-5232 Villigen                      gnupg key: 0x515E30C7
Switzerland
https://www.psi.ch/ceg/

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