Re: [Ifeffit] How to identify Mn Mn Corner edge paths in Artemis

2014-01-07 Thread Matthew Marcus
Corner-sharing octahedra in birnessite-based structure occur either due to interlayer Mn, i.e. Mn which is attached on top of the layer, over a layer vacancy, or octahedra hanging off the edges of sheets. There is a vast litereature on this, notably from people like Manceau, Bargar and Webb. P

Re: [Ifeffit] How to identify Mn Mn Corner edge paths in Artemis

2014-01-07 Thread fred.mosselmans
Hi Sathish, There are no corner sharing paths in your feff calculation as the "perfect" birnessite model you are using only has edge sharing octahedra. I am not a phyllomanganate expert so can't help with a structure suggestion to try but using google I would think you could find a structure wi

[Ifeffit] How to identify Mn Mn Corner edge paths in Artemis

2014-01-07 Thread Sathish Mayanna
Dear all I am sorry for disturbing you all again, since I am self learning to fit multiple scattering for biogenic Mn oxides in Artemis, I am quite lost in understanding the basics of Mn Mn corner sharing path. All reports are included Mn-Mn Corner at ~ 3.4 A, which I cannot find in my Feff calcu