GSAS Rfsq

2001-03-12 Thread Xiang Ouyang
Hi, I have recently switched to the new GSAS which let me use the CW#4 profile function. I can achieve better profile handling with CW#4 than the CW#2. My problem is: After refine the dummy atom(H) in LeiBail mode for the profile parameter, I put in real atom positions for the rietveld refinement,

Re: LaAlO3 structure

2001-03-12 Thread Jim Cline
Joerg, At 07:07 AM 3/7/01 +, you wrote: > >We have done some investigations on the old line standard LaB6 SRM660, >it contains some minor phases (sum 5%), one was LaAlO3. The new >standard SRM660a is clean and has some other advantages, too. Now, >we favour SRM660a over Y2O3. This is a pleas

Wrong

2001-03-12 Thread Jim Cline
Sorry all; wrong "reply". Jim James P. Cline [EMAIL PROTECTED] Ceramics Division Voice (301) 975 5793 National Institute of Standards and Technology FAX (301) 975 5334 100 Bureau Dr. stop 8523 Ga

New GSAS

2001-03-12 Thread Bob Von Dreele
Hi everyone, New versions of GSAS for MS-DOS/Winxx and Linux have been placed on the ftp site ftp://ftp.lanl.gov/public. A new copy of the GSAS Manual has also been placed there. The changes are in the latest GSAS News and are: 1. Each powder histogram may now have a weight factor. By default t

Powder patterns from single crystal intensity data

2001-03-12 Thread Yokochi, Alexandre
Hi everyone, I am wondering whether there is an easy to use tool that will take a SHELX format intensity file and instrumental parameters (or even without these) and calculate a powder pattern out of that. I know that sometime ago someone asked exactly the question I am now askin

YBa2Cu3O7-y

2001-03-12 Thread S. Nagesh Kini
I am looking for unit cell data of YBa2Cu3O7-y obtained from diffraction from a single crystal. The lattice parameters given in JCPDS records are obtained from powder diffraction. Could anyone help me? -Nagesh S.Kini Materials Research Centre Indian Institute of Science Bangalore - 560 012 --

Re: Powder patterns from single crystal intensity data

2001-03-12 Thread Lachlan Cranswick
> I am wondering whether there is an easy to use tool that will take a >SHELX format intensity file and instrumental parameters (or even without >these) and calculate a powder pattern out of that. > > I know that sometime ago someone asked exactly the question I am now >asking, but i

Re: Re: Powder patterns from single crystal intensity data

2001-03-12 Thread Xiang Ouyang
Hi Alex, Try Oscail 8 ( controling program for both ortex and oscailp)and to call powutil and powdis( I used the stand alone oscailp before.) The output .ing is in xy format you can easy port to other display program or you can just use the powdis. http://ccp14.sims.nrc.ca/ccp/web-mirrors/ortex