Thinking a little outside of the crystallographic aspects, do you have element analysis data? Either XRF or ICP-MS would give a good guide to the sample composition, and it should match to the composition you are using in the structure model.
I find it is worth drying both the sample and spike before weighing them, as you can introduce some errors if one component likes to adsorb a lot of water from the air. And are you sure your spike is fully crystalline (95% or more), is intimately mixed with the sample and doesn't have massively different particle size to the sample? Jools -----Original Message----- From: rietveld_l-requ...@ill.fr <rietveld_l-requ...@ill.fr> On Behalf Of François Goutenoire Sent: onsdag 3. mars 2021 13.34 To: rietveld_l@ill.fr Subject: Hyper-Lorentzian effect on quantitative analysis Dear Rietveld users, I have some industrial compound presenting a strong hyper-Lorentzian peak shape (eta=1.1 with HighScore). When we calculate the amorphous content after an internal standard addition, the result is 40%. The micro-absorption effect has been minimized (mu of the internal standard is closed to the compound). But with some electronic transmission analysis no amorphous is observed. The question is : Does a strong hyper-Lorentzian peak shape could influence quantitative analysis ? François -- ********************************************************************************************* Pr. Francois GOUTENOIRE e-mail: francois.gouteno...@univ-lemans.fr Tel: 02.43.83.33.54 FAX: 02.43.83.35.06 Skype Entreprise visio conférence Département des Oxydes et Fluorures Institut des Molécules et des Matériaux du Mans IMMM - UMR CNRS 6283 Université du Maine - Avenue Olivier Messiaen F-72085 Le Mans Cedex 9 FRANCE ********************************************************************************************* Formation Rietveld CNRS 2020 https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fcnrsformation.cnrs.fr%2Fdiffraction-des-rayons-x-sur-materiaux-polycristallins%3Faxe%3D135&data=04%7C01%7Cjulianrichard.tolchard%40sintef.no%7C0d9a81efc5fb4c83e5b808d8de40fb8e%7Ce1f00f39604145b0b309e0210d8b32af%7C1%7C1%7C637503717984009944%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000&sdata=A583rGrlzvqcO4eaEFccihRE1u1rUYmhqUO12DKRv28%3D&reserved=0 Formation EDX CNRS 2020 https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fcnrsformation.cnrs.fr%2Ffluorescence-x-edx%3Faxe%3D135&data=04%7C01%7Cjulianrichard.tolchard%40sintef.no%7C0d9a81efc5fb4c83e5b808d8de40fb8e%7Ce1f00f39604145b0b309e0210d8b32af%7C1%7C1%7C637503717984019908%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000&sdata=JzG1Vfz1vqnmeFy2b2uwI%2BDW9qFwy78H7vSTkHSXaYA%3D&reserved=0 Formation SAXS et Réflectivités pour couches minces et matériaux nanostructurés. https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fcnrsformation.cnrs.fr%2Fcaracterisation-des-materiaux-nanostructures-par-diffusion-des-rayons-x%3Faxe%3D135&data=04%7C01%7Cjulianrichard.tolchard%40sintef.no%7C0d9a81efc5fb4c83e5b808d8de40fb8e%7Ce1f00f39604145b0b309e0210d8b32af%7C1%7C1%7C637503717984019908%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000&sdata=SR75omVvQuf%2BGEHPKqiRhturUjHHKPZ7jjwpO%2F1%2FRFc%3D&reserved=0 Bibliographie https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fscholar.google.fr%2Fcitations%3Fhl%3Dfr%26user%3DqC-lmN4AAAAJ%26view_op%3Dlist_works%26authuser%3D1%26sortby%3Dtitle&data=04%7C01%7Cjulianrichard.tolchard%40sintef.no%7C0d9a81efc5fb4c83e5b808d8de40fb8e%7Ce1f00f39604145b0b309e0210d8b32af%7C1%7C1%7C637503717984019908%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000&sdata=FUvhYq9in61L2d1leC91oIo8UwxlaGfN78my%2F6VvHFc%3D&reserved=0 https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Forcid.org%2F0000-0001-5339-3002&data=04%7C01%7Cjulianrichard.tolchard%40sintef.no%7C0d9a81efc5fb4c83e5b808d8de40fb8e%7Ce1f00f39604145b0b309e0210d8b32af%7C1%7C1%7C637503717984019908%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000&sdata=9%2BqjLOomkLsLIJHYxFfW1GQ0ZKuJO9x4lO1N58RSSxk%3D&reserved=0
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