Re: scattering factor for O2- ?

Hi Matthew, About the form factors : there is an active community doing "Quantum Crystallography" or charge density analysis with the IUCr. Some of them have been running a nice series of online lectures recently: https://qcrwebinar.chem.uw.edu.pl/ You can find many experts there, and there

Re: scattering factor for O2- ?

rnt wrote: > >> Hello Daniel, hello all! >> >> >> >> Daniel, you are right. I just obtained the Hovestreydt paper, he actually >> published a 9 coefficients representation. >> >> >> >> My apologies! >> >> >> >> Cheers

Re: scattering factor for O2- ?

; >> Hello Daniel, hello all! >> >> >> >> Daniel, you are right. I just obtained the Hovestreydt paper, he actually >> published a 9 coefficients representation. >> >> >> >> My apologies! >> >> >> >> Cheers, >> >> &g

Re: scattering factor for O2- ?

2023 09:58 An: rietveld_l@ill.fr<mailto:rietveld_l@ill.fr> Betreff: Re: scattering factor for O2- ? Hello Arnt, I believe you are probably mistaken. The file at GitHub cites at the source of most of its scattering factors either the paper of Waasmaier & Kirfel ("New Analytical Sca

RE: scattering factor for O2- ?

To: Kern, Arnt ; daniel.toebb...@helmholtz-berlin.de Cc: rietveld_l@ill.fr Subject: Re: scattering factor for O2- ? Thanks all It looks like fat fingers all around! W&K doesn't contain O2-, does contain O- RR&G _does_ contain O2-, doesn't contain O- (every version of the waasameir data I&

Re: scattering factor for O2- ?

m Auftrag > von *Többens, Daniel > *Gesendet:* Dienstag, 21. Februar 2023 09:58 > *An:* rietveld_l@ill.fr > *Betreff:* Re: scattering factor for O2- ? > > > > Hello Arnt, > > I believe you are probably mistaken. The file at GitHub cites at the > source of most of its sca

AW: scattering factor for O2- ?

2023 09:58 An: rietveld_l@ill.fr Betreff: Re: scattering factor for O2- ? Hello Arnt, I believe you are probably mistaken. The file at GitHub cites at the source of most of its scattering factors either the paper of Waasmaier & Kirfel ("New Analytical Scattering Factor Functions for Free

Re: scattering factor for O2- ?

ctors of Oxygen and Sulfur Ions - an Ab initio Hartree-Fock Calculation. Acta Crystallographica Section A, 1993. 49: p. 91-97. Good Luck to everyone out there, Daniel Többens Am 21.02.2023 um 07:52 schrieb Kern, Arnt: Hi Matthew, I am pretty sure, this is “On the atomic scattering facto

Re: scattering factor for O2- ?

Arnt: Hi Matthew, I am pretty sure, this is “On the atomic scattering factor for O2-“ E. Hovestreydt Acta Cryst. (1983). A39, 268-269 https://doi.org/10.1107/S0108767383000550 I don’t have the paper at hand, unfortunately. Cheers, Arnt -Bruker Confidential- *Von:*rietveld_l-requ...@i

AW: scattering factor for O2- ?

Hi Matthew, I am pretty sure, this is "On the atomic scattering factor for O2-" E. Hovestreydt Acta Cryst. (1983). A39, 268-269 https://doi.org/10.1107/S0108767383000550 I don't have the paper at hand, unfortunately. Cheers, Arnt -Bruker Confidential- Von: rietveld_l-req

scattering factor for O2- ?

Hi all I've been looking at atomic scattering factors recently, and in particular, the 11-coefficient parameterisation by Waasmaier and Kirfel [1]. In their paper, they give a parameterisation for O and O-, but in tables I can find online (eg libdiffpy/f0_WaasKirf.dat at master · diffpy/libdiffpy