Re: [Ifeffit] Lattice parameters: EXAFS vs. XRD

2009-12-30 Thread Matt Newville
Hi Scott, I believe we had a conversation about this last January. XAFS is not sensitive to the crystallographic lattice constants. It measures the spacing between atoms. Because of thermal vibrations and other disorder terms, the average distance between atoms is larger than the distance

Re: [Ifeffit] Lattice parameters: EXAFS vs. XRD

2009-12-30 Thread Frenkel, Anatoly
points (measured by XRD). Anatoly From: ifeffit-boun...@millenia.cars.aps.anl.gov on behalf of Matt Newville Sent: Wed 12/30/2009 11:47 AM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Lattice parameters: EXAFS vs. XRD Hi Scott, I believe we had

Re: [Ifeffit] Lattice parameters: EXAFS vs. XRD

2009-12-30 Thread Scott Calvin
Thanks, Matt--you give a complete and satisfying discussion of this on January 23 on this list. I forgot about that because it came at the tail end of a long discussion as to whether C3 could ever be 0, but I suspect what you said then was rattling around in the back of my head and only

[Ifeffit] Lattice parameters: EXAFS vs. XRD

2009-12-25 Thread Scott Calvin
Merry Christmas, everyone! Yes, I'm pondering EXAFS on Christmas... Here's an issue that I bet has been worked out, and I bet someone on this list knows the result and where it's been published. It's well known that the MSRD (sigma squared) for EXAFS differs substantially from the

Re: [Ifeffit] Lattice parameters: EXAFS vs. XRD

2009-12-25 Thread Frenkel, Anatoly
Big deal... We have final exams on Christmas... Anatoly Frenkel Yeshiva University From: ifeffit-boun...@millenia.cars.aps.anl.gov on behalf of Scott Calvin Sent: Fri 12/25/2009 1:04 PM To: XAFS Analysis using Ifeffit Subject: [Ifeffit] Lattice parameters