RE: How to add a molecule in GSAS?

2007-11-28 Thread Telepeni Irvin
Hi, I finally managed to find out how to put a D2 molecule in GSAS. Rather than having one D with the double of the scattering length, it was recommended to do as following in the GSAS news(2002 march: I entered the form factor of D2 molecule as a table of sin(theta)/lambda VS form factor

high-temperature chambers for XRD

2007-11-28 Thread Angel L. Ortiz
Dear colleages: I would like to formulate a question on the high-temperature chambers used to collect non-ambient diffractograms. I want to configure my diffractometer to go up to 2000 ºC, and I have received offers from MRI and Anton-Paar. I would like to have the opinion of the users of both

RE: How to add a molecule in GSAS?

2007-11-28 Thread Von Dreele, Robert B.
Dear Irvin, You seem to be wanting to put in a special form factor for your D2 molecule. In GSAS special form factors need special element names - these are QA, QB, ... Then use this name for the atom type for your D2 put in just one of these. If it failed let me have a look at your .EXP file.

Jorge González

2007-11-28 Thread Jorge Gonzalez
Dear Friends, I would like to contact with people familiar with x-ray diffractometers capable of performing both powder and single crystal measurements. We are planning to buy one and we need some information. Thank you. Jorge González GonzálezEscuela de