At this point not sure we can say for sure is the last paper. Indeed is one to keep in the library, missing Lachlan….
<http://www.unitn.it/> Luca Lutterotti Dipartimento di Ingegneria Industriale Università di Trento via Sommarive, 9 - 38123 Trento (Italy) tel. +39 0461 2824-14 (Office), -34 (X-Ray lab)  Maud: http://maud.radiographema.com <http://maud.radiographema/> > On 30 Mar 2025, at 05:01, Matthew Rowles <rowle...@gmail.com> wrote: > > > since 1990, indexed in 2005, solved in 2025. > > Sounds like Lachlan Cranswick's (and Rod Hill's) last paper. > > R. J. Hill and L. M. D. Cranswick > Crystallography of the litharge to massicot phase transformation from neutron > powder diffraction data > Acta Cryst. (2025). B81, 146-160 > https://doi.org/10.1107/S205252062401254X > > > > On Wed, 26 Mar 2025 at 20:05, Le Bail Armel <le-bail.ar...@orange.fr > <mailto:le-bail.ar...@orange.fr>> wrote: >> I may say that I tried Be2+ giving similar result as B3+ for the final >> >> decrease of the thermal parameter. I tried also He obtaining a negative B < >> -2 A**2. >> >> I prepared myself to answer to the reviewer expected comment by "no B3+ >> >> scattering factor available. But using the Be2+ scattering factor decreases >> >> the Boron thermal parameter to ~2 A**2". >> >> Anyway, why solving now that structure at >74 ? >> >> A big commercial company awakened me 3 months ago for trying >> >> to solve a crystal structure from powder data. Success is there, a paper >> >> is ready to be submitted, but no permission to publish is delivered yet... >> >> Commercial companies are strange. >> >> Once awakened it is hard to stop, so now this new (BF4) based compound >> >> of which the powder diffraction pattern was sleeping in my drawers >> >> since 1990, indexed in 2005, solved in 2025. >> >> Armel >> >> >> >> >> >> >> >>> envoyé : 26 mars 2025 à 11:35 >>> de : François GOUTENOIRE <francois.gouteno...@univ-lemans.fr >>> <mailto:francois.gouteno...@univ-lemans.fr>> >>> à : rietveld_l@ill.fr <mailto:rietveld_l@ill.fr> >>> objet : Re: B3+ >>> >>> >>> Hi every one, >>> >>> A very interesting discussion, thank Armel, I am working with many >>> Rietveld programs : >>> >>> Jana2006, up to my knowledge there are only diffusion factor for neutral >>> atom >>> >>> HighScorePlus, it should be the same >>> >>> Topas, many diffusion factors could be found (ex: Al or Al3+) but B3+ is no >>> present >>> >>> Fullprof, You can add your own diffusion factors with f' and f'' for >>> different wavelengh (ex Cobalt radiation) >>> >>> Then I have a "stupid question", can we replace B3+ with He with the same >>> number of electrons ? >>> >>> Francois >>> >>> Le 22/03/2025 à 20:24, Le Bail Armel a écrit : >>>> At least I will escape to reviewers comments because of a Checkcif alert C >>>> : >>>> >>>> PLAT241 Type_2 Test for unusually high U(eq) as compared with bonded >>>> neighbours >>>> >>>> Using the B3+ scattering factors instead of neutral B ones, the Boron >>>> thermal parameter >>>> >>>> decreased from 6.5 to 2.2 A**2. >>>> >>>> Armel >>>> >>>> >>>> >>>> >>>> >>>>> envoyé : 22 mars 2025 à 20:03 >>>>> de : Masciocchi Norberto <norberto.mascioc...@uninsubria.it> >>>>> <mailto:norberto.mascioc...@uninsubria.it> >>>>> à : Le Bail Armel <le-bail.ar...@orange.fr> >>>>> <mailto:le-bail.ar...@orange.fr>, Matthew Rowles <rowle...@gmail.com> >>>>> <mailto:rowle...@gmail.com> >>>>> cc : "Rietveld List (rietveld_l@ill.fr <mailto:rietveld_l@ill.fr>)" >>>>> <Rietveld_L@ill.fr> <mailto:Rietveld_L@ill.fr> >>>>> objet : Re: B3+ >>>>> >>>>> >>>>> 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 <mailto:rietveld_l-requ...@ill.fr> >>>>> <rietveld_l-requ...@ill.fr> <mailto:rietveld_l-requ...@ill.fr> on behalf >>>>> of Le Bail Armel <le-bail.ar...@orange.fr> >>>>> <mailto:le-bail.ar...@orange.fr> >>>>> Sent: Saturday, March 22, 2025 7:57:27 PM >>>>> To: Matthew Rowles <rowle...@gmail.com> <mailto:rowle...@gmail.com> >>>>> Cc: Rietveld List (rietveld_l@ill.fr <mailto:rietveld_l@ill.fr>) >>>>> <Rietveld_L@ill.fr> <mailto:Rietveld_L@ill.fr> >>>>> Subject: Re: B3+ >>>>> >>>>> Thanks a lot ! >>>>> >>>>> Armel >>>>> >>>>>> envoyé : 22 mars 2025 à 17:26 >>>>>> de : Matthew Rowles <rowle...@gmail.com> <mailto:rowle...@gmail.com> >>>>>> à : Luca Lutterotti <luca.luttero...@unitn.it> >>>>>> <mailto:luca.luttero...@unitn.it> >>>>>> cc : Le Bail Armel <le-bail.ar...@orange.fr> >>>>>> <mailto:le-bail.ar...@orange.fr>, "Rietveld List (rietveld_l@ill.fr >>>>>> <mailto:rietveld_l@ill.fr>)" <Rietveld_L@ill.fr> >>>>>> <mailto: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 >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> 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) >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> 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> <mailto: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> <mailto: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/ >>>> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >>>> >>> -- >>> Francois Goutenoire >>> Chef du Département Chimie >>> IUT Le Mans >>> Avenue Olivier Messiaen, 72085 - LE MANS Cedex 09 >>> iut.univ-lemans.fr <https://iut.univ-lemans.fr/> >>> <https://www.facebook.com/LeMansUniversite> >>> <https://twitter.com/LeMansUniv> >>> <https://www.instagram.com/lemansuniversite/?hl=fr> >>> <https://www.youtube.com/channel/UCGcQ5RW44I0xEIg4pNS69pg> >>> <https://www.linkedin.com/school/universit%C3%A9-du-maine-le-mans-laval/> >>> >>> >>> Membre de l'alliance d'universités européennes COLOURS >>> >>> >>> >>> ********************************************************************************************* >>> Pr. Francois GOUTENOIRE >>> e-mail: francois.gouteno...@univ-lemans.fr >>> <mailto:francois.gouteno...@univ-lemans.fr> >>> Chef du Département Chimie de l'IUT du Mans >>> Tel(IUT): 02.43.83.34.26 >>> Tel (IMMM): 02.43.83.33.54 >>> FAX: 02.43.83.35.06 >>> Institut des Molécules et des Matériaux du Mans >>> IMMM - UMR CNRS 6283 >>> Elaboration et Caractérisation des Composés Cristallisés (E3C) >>> Université du Maine - Avenue Olivier Messiaen >>> F-72085 Le Mans Cedex 9 >>> FRANCE >>> ********************************************************************************************* >>> Formation Rietveld CNRS >>> https://cnrsformation.cnrs.fr/diffraction-des-rayons-x-sur-materiaux-polycristallins?axe=135 >>> Formation EDX CNRS >>> https://cnrsformation.cnrs.fr/fluorescence-x-edx?axe=135 >>> Bibliographie >>> https://scholar.google.fr/citations?hl=fr&user=qC-lmN4AAAAJ&view_op=list_works&authuser=1&sortby=title >>> https://orcid.org/0000-0001-5339-3002 >> >> >> >>> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >>> 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/ > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
