RT Conference Proceedings T1 PXRD and PDF analysis of multifunctional lanthanide nitrilotris-methylphosphonate-based proton conductors A1 Pérez-Colodrero, Rosario Mercedes A1 Cabeza-Díaz, Aurelio A1 Salcedo, Inés R. A1 Bazaga-García, Montse A1 Olivera-Pastor, Pascual K1 Conductividad eléctrica AB Metal phosphonates are multifunctional solids which possess tunable properties, such asH-bond networks, while exhibiting high chemical and thermal stability. Depending on the protonation of the ligand, different crystalline phases can be obtained.Here, we report three different families of proton conductors based on lanthanide nitrilotrismethylphosphonates.Compounds having cationic layers compensate by chloride or sulfateanions were isolated: [Ln(H4NMP)(H2O)2]Cl·2H2O and Ln(H5NMP)]·SO4·4H2O [H6NMP =nitrilotris(methylphosphonic acid)]. The crystal structure of Gd-(H5NMP)]·SO4·4H2O wassolved ab initio from synchrotron powder diffraction data (λ=0.4124 Å, beamline BL04-MSPD ALBA) and refined by the Rietveld method. Chloride containing phases show two irreversible solid state transformations take place: (1) a crystalline-to-crystalline phase transition, {Ln-H4NMP → [Ln2(H3NMP)2(H2O)4]·4.5H2O for Ln= La, Pr}, and (2) crystalline-to-amorphousphase transition, {LnH4NMP → [Ln(H3NMP)]·1.5H2O for Ln= Gd - Ho}, both implies the lossof HCl and structural rearrangements of the frameworks. Variations in average and localstructure have been monitored by high resolution powder diffraction and PDF analysis, upon exposure the samples at high relative humidity and temperature (95% RH and 80 ºC), in order to understand their behavior as proton conductors. YR 2017 FD 2017-10-17 LK http://hdl.handle.net/10630/14652 UL http://hdl.handle.net/10630/14652 LA eng NO Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech. DS RIUMA. Repositorio Institucional de la Universidad de Málaga RD 19 ene 2026