Donald Wang wrote:
Dear all,
I have a puzzle here. I have been learning GSAS for a while but still
at a relatively low level. I am trying to calculate % of glass phase in
a plasma sprayed alumina coating (eta alumina, ISCD #39104, space group
Fd-3M, 227). The structure is copy-pasted as
Title: Message
Don,
As
Allen Larson noted GSAS only uses the 2nd setting for space groups that have two
(e.g. F d 3 m) so that he inversion center is placed at the origin. The eta
alumina structure you have is for the 1st setting. To convert from 1st to 2nd
subtract 1/8,1/8,1/8 from all
Title: Message
Drs. Payzant,
Larson, Von Dreele,
Thanks for your quick response.
After 1/8 offset, it appears that the
pattern from live plot is a good match to ICSD-generated pattern, which basically
solved my problem. I am very happy
and grateful.
There is still a little
