Dear colleagues, I am interested in solving structures by ab-initio method.I am using GSAS for Rietveld refinement.Is it possible to use GSAS for pattern ...
100
Armel Le Bail
armel@...
Sep 1, 1999 3:29 pm
... In GSAS, structure factors extraction is done by starting from a dummy atom for the calculation of the first |Fcalc| values, rather than to use all...
101
Armel Le Bail
armel@...
Sep 2, 1999 7:00 am
Let us continue this crowdy discussion. Some new results on C4H4CuAlCl4 : Using the molecule location option in ESPOIR, with a CuAlCl4 model taken from the...
102
Roger Michael Sullivan
smsulliv@...
Sep 2, 1999 8:12 am
Armel, The empirical formula was determined by gravimetric means. It could be either two H2C=CH2 molecules or one H3C-CH=CH-CH3 molecule. Haiming Liu, my MAS...
103
L. Cranswick
L.M.D.Cranswick@...
Sep 7, 1999 5:00 pm
104
Peter Y. Zavalij
zavalij@...
Sep 7, 1999 5:28 pm
... There is small problem with LeBail extraction in GSAS: alpha1 and alpha2 components are refined independently... Dr. Peter Y. Zavalij University...
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Dr. Jaap Vente
jaap@...
Sep 7, 1999 5:41 pm
... Yes I found that as well, but thought that I had made a mistake somewhere. I think it is a major problem though. Bob could you please fix that? Jaap Jaap...
106
Armel Le Bail
armel@...
Sep 7, 1999 7:22 pm
... Not sure if Bob has subscribed to this list. The way this problem was fixed in ARIT was to consider the two structure factor amplitudes independently...
107
L. Cranswick
L.M.D.Cranswick@...
Sep 7, 1999 9:21 pm
108
Bassam Alameddine
balameddine@...
Sep 8, 1999 11:33 am
Dear Sir, Can you please send me some informations about Quasicrystals and their compositions. Sincerely. Bassam....
109
MartinUlrich_Schmidt@...
Sep 8, 1999 1:02 pm
Dear Mr. Alameddine, if you are looking for an introduction to quasicrystals I would suggest the following article: W. Steurer: "The Structure of...
110
Armel Le Bail
armel@...
Sep 8, 1999 5:59 pm
ESPOIR 2.0 was adapted for running on Linux RedHat by Richard Harlow and Alistair J. McGhie (DuPont Company). They give their opinion about it at : ...
111
L. Cranswick
L.M.D.Cranswick@...
Sep 9, 1999 1:03 pm
112
L. Cranswick
L.M.D.Cranswick@...
Sep 9, 1999 12:52 pm
113
Armel Le Bail
armel@...
Sep 10, 1999 1:12 pm
Dear SDPD Subscribers, At Glasgow IUCr XVIII were shown only successful studies. Nobody will invite you if you intend to talk about failure. So, now that the...
114
L. Cranswick
L.M.D.Cranswick@...
Sep 10, 1999 2:03 pm
115
Jon Wright
jpw22@...
Sep 10, 1999 2:18 pm
I'm a little bit surprised no one is suggesting electron microscopy as a tool for indexing. Either as first stop or a last resort, depending upon whether you...
116
Armel Le Bail
armel@...
Sep 10, 1999 2:29 pm
... We have HREM here, but this particular sample would not resist to the electron beam. Anyway, I am not very confident in indexing by electron microscopy, ...
117
Armel Le Bail
armel@...
Sep 11, 1999 8:33 am
... From: Robin Shirley <R.Shirley@...> Organization: Psychology Dept, Surrey Univ. U.K. Date: Fri, 10 Sep 1999 14:52:08 GMT Subject: Re: Time for an...
118
Armel Le Bail
armel@...
Sep 11, 1999 8:50 am
... Unfortunately or fortunately, depending of the view point, this Bi-based organometallic compound is really completely unknown (to my knowledge, and after...
119
MartinUlrich_Schmidt@...
Sep 13, 1999 9:34 am
Indexing by electon microscopy: A personal remark We once had a powder diagram, which could be indexed only with the help of electron microscopy: It was an...
120
Bruce A. Weir
baw27@...
Sep 13, 1999 9:38 am
... That sounds pretty useful for a problem which I have at the moment, do you know a good reference which discusses the procedure? -- ...
121
MartinUlrich_Schmidt@...
Sep 13, 1999 11:47 am
... degree. ... doubled, ... you ... Sorry, I am not aware of a good reference. Also the problem I mentioned above is not published. The specimen was just...
122
MartinUlrich_Schmidt@...
Sep 13, 1999 3:45 pm
A good reference for electron microscopy including indexing: David B. Williams, C. Barrycarter: Transmisison electron microscopy (4 Volumes), Plenum...
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Robin Shirley
R.Shirley@...
Sep 13, 1999 3:46 pm
I'd endorse the usefulness of combining electron microscope and X-ray powder diffraction methods - assuming that the necessary TEM facility is available and...
124
nys1664@...
Sep 14, 1999 1:12 am
Hello Everybody, I became a new member to the SDPD mailing list. nice to see you again.. My experience in this field is as follows; I am just a beginner in...
125
Armel Le Bail
armel@...
Sep 14, 1999 6:52 am
In the series of SDPD failures (shame on us, but it is not too late, ... Decembre 31, 1999, in case of the structure of C61Br2 is still not determined, the...
126
L. Cranswick
L.M.D.Cranswick@...
Sep 15, 1999 12:49 am
127
L. Cranswick
L.M.D.Cranswick@...
Sep 15, 1999 1:10 am
128
Armel Le Bail
armel@...
Sep 18, 1999 10:18 am
A new Internet course is proposed at the University of Maine (France). Learn how to succeed in a Structure Determination by Powder Diffractometry (SDPD) with...
