While the availability of the scattering factor for B3+ is certainly a novelty (at least for me), one should be aware that, even in BF4 (where highly electronegative F atoms are bound to Boron), the bonding is mostrly covalent, and may contain a non-negligible contribution of pi-pi backdonation. This said, modeling BF4 from scattering data is a difficult task, as non harmonic adps and disorder often dominate. Norberto
Inviato da Outlook per Android<https://aka.ms/AAb9ysg> ________________________________ From: rietveld_l-requ...@ill.fr <rietveld_l-requ...@ill.fr> on behalf of Le Bail Armel <le-bail.ar...@orange.fr> Sent: Saturday, March 22, 2025 7:57:27 PM To: Matthew Rowles <rowle...@gmail.com> Cc: Rietveld List (rietveld_l@ill.fr) <Rietveld_L@ill.fr> Subject: Re: B3+ Thanks a lot ! Armel envoyé : 22 mars 2025 à 17:26 de : Matthew Rowles <rowle...@gmail.com> à : Luca Lutterotti <luca.luttero...@unitn.it> cc : Le Bail Armel <le-bail.ar...@orange.fr>, "Rietveld List (rietveld_l@ill.fr)" <Rietveld_L@ill.fr> objet : Re: B3+ Try https://onlinelibrary.wiley.com/iucr/doi/10.1107/S2053273323010550 And https://journals.iucr.org/paper?ae5125 Matthew On Thu, 20 Mar 2025, 15:47 Luca Lutterotti, <luca.luttero...@unitn.it<mailto:luca.luttero...@unitn.it>> wrote: Nope, I checked what I have and I use Xraylib now in Maud but also there is only B neutral. Maybe someone can calculate them? Ciao Luca [logo_unitrento_firma.png] Luca Lutterotti Dipartimento di Ingegneria Industriale Università di Trento<https://www.google.com/maps/search/Trento+via+Sommarive,+9+-+38123+Trento+(Italy?entry=gmail&source=g> via Sommarive, 9 - 38123 Trento (Italy<https://www.google.com/maps/search/Trento+via+Sommarive,+9+-+38123+Trento+(Italy?entry=gmail&source=g>) tel. +39 0461 2824-14 (Office), -34 (X-Ray lab) [ico_fb_32x32.png][ico_twitter_32x32.png][ico_insta_32x32.png][ico_linkedin_32x32.png][ico_youtube_32x32.png] Maud: http://maud.radiographema.com<http://maud.radiographema> On 19 Mar 2025, at 20:58, Le Bail Armel <le-bail.ar...@orange.fr<mailto:le-bail.ar...@orange.fr>> wrote: Hello, Any parametrized X-ray scattering factor for B3+ somewhere ? A case with [BF4] tetrahedra. Thanks ! Armel ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please do NOT attach files to the whole list <alan.he...@neutronoptics.com> Send commands to <lists...@ill.fr<mailto:lists...@ill.fr>> eg: HELP as the subject with no body text The Rietveld_L list archive is on http://www.mail-archive.com/rietveld_l@ill.fr/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please do NOT attach files to the whole list <alan.he...@neutronoptics.com> Send commands to <lists...@ill.fr<mailto:lists...@ill.fr>> eg: HELP as the subject with no body text The Rietveld_L list archive is on http://www.mail-archive.com/rietveld_l@ill.fr/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please do NOT attach files to the whole list <alan.he...@neutronoptics.com> Send commands to <lists...@ill.fr> eg: HELP as the subject with no body text The Rietveld_L list archive is on http://www.mail-archive.com/rietveld_l@ill.fr/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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