Cs2SiO3

1998-10-30 Thread Hongwu Xu
Dear All: Does anyone have structural information (space group, cell parameters, atomic positions) of Cs2SiO3? The thermodynamic data for this compound are available but I couldn't find any crystallographic info.. Thanks, Hongwu Xu

zorite

1999-01-29 Thread Hongwu Xu
Dear All, Does anyone know where I can find the structural info. (space group, atomic positions, etc.) for zorite- a sodium titanium aluminum silicate hydrate? Thanks, Hongwu Dept. of Chem. Eng. & Mater. Sci. UC-Davis Davis, CA 95616

Ab Initio

1999-02-27 Thread Hongwu Xu
Dear All, Could someone out there recommend me several papers regarding ab initio Rietveld refinement? I have a nanomaterial phase whose structure is completely unknown and I would like to solve the structure using power x-ray data. Can GSAS alone do this or will I need other softwares? Your sugg

GSAS

1999-03-16 Thread Hongwu Xu
Hello everyone, I've just installed the GSAS on my Windows-NT PC, but when I tried to run "expedt", I got an error message saying "C:GSAS\PG-GSAS.pif, invalid program file name, please check you pif file". However, I did not find any *.pif files coming with the program. Did anyone encounter this

Graphics

1999-03-30 Thread Hongwu Xu
Hi, Everyone, We have some neutron diffraction data collected and stored in the VAX computer at Argonne, and we want to remotely get access to those data from our Windows-PC or Mac here. However, we were unable to display the diffraction patterns on our computers. Do we need an emulation program

Negative Biso

1999-05-14 Thread Hongwu Xu
Dear All, I'm currently doing refinement for a Cs-Zr-Si-O phase using GSAS. While the refinement proceeded stably and the final cycle got converged, the displacement factors (Biso) were negative except for Cs. I tried with two sets of data collected on two diffractometers, and the situations are