Dear Rietvelders,
I am searching for the structure of various transition aluminas
(especially rho, eta, khi, gamma, delta and sigma)
to perform ab-initio calculations of their infrared spectra.
Could you, please, inform me about those structures ?
Best regards,
Dr L. Favaro
Laboratoire LEMHE
Laurent,
you may find this review paper useful:
Levin, I., Brandon, D., 1998: Metastable alumina polymorphs: crystal
structures and transition sequences. J. Am. Ceram. Soc. 81 (8),
1995-2012.
Juro Majzlan
On 06.09.2007, at 15:09, Laurent Favaro wrote:
Dear Rietvelders,
I am searching
Hello all.
This has no doubt been covered before and is probably in an obvious place but i
just can't seem to find information on converting beq values in TOPAS to
actual displacements (Angstroms).
Something to do with 4PIr^2 ?
Thanks in advance.
Happy refining!
Jo
divide by 8*pi^2 (~80), that gets U (mean sq atom displacement)
R.B. Von Dreele
IPNS Division
Argonne National Laboratory
Argonne, IL 60439-4814
-Original Message-
From: Duncan, Jo [mailto:[EMAIL PROTECTED]
Sent: Thursday, September 06, 2007 10:46 AM
