I attempted to send this to you, last week, but it bounced. I don't know what kinds of responses you've gotten, but I would suggest the following:
1. STRUCTURES AND TRANSFORMATION MECHANISMS OF THE ETA, GAMMA AND
THETA TRANSITION ALUMINAS
ZHOU RS, SNYDER RL
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE , v. 47 pp.
617-630 1991
2. STRUCTURE AND BONDING OF BULK AND SURFACE THETA-ALUMINA FROM
PERIODIC HARTREE-FOCK CALCULATIONS
BOROSY AP, SILVI B, ALLAVENA M, NORTIER P
JOURNAL OF PHYSICAL CHEMISTRY , v. 98(#50) pp. 13189-13194 DEC
15, 1994
3. Twinning in theta alumina investigated with high resolution
transmission electron microscopy
Wang YG, Bronsveld PM, DeHosson JTM, Djuricic B, McGarry D,
Pickering S
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY , v. 18(#4) pp. 299-304 1998
I've attached article 3: - if you can get a clean copy, you can "back out"
the atom positions from the micrographs. The authors place the space group
in a different setting: Aa2/m. I don't have article "1" readily to hand,
but have used it in Rietveld refinements of catalyst support samples - it
works well, except for the slight disorder we always see. If I find my
copy of the paper, I'll EMAIL the coordinates.
Linda Mansker
At 03:44 PM 12/6/00 +1000, you wrote:
>Dear All,
>
>Does anyone have information on the atom positions for Theta Alumina:
>space group C 2/m (monoclinic), lattice size a=11.74, b=5.72, c=11.24,
>Beta=103.34 deg?
>
>Thanks in advance
>
>Gary Venz
>
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>School of Physical Sciences Phone: +61 (07) 3864 2924
>Queensland University of Technology Fax: +61 (07) 3864 1521
>GPO Box 2434 E-mail: [EMAIL PROTECTED]
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>Queensland
>AUSTRALIA
>
>
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