ISIS Neutron and Muon Source Data Journal

This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.

ISIS Neutron and Muon Source

ISIS Neutron and Muon Data

DM Xpress - Resolving the Structure of Bulk Li2.19PO2.8N0.53 Glass

Data collected on the
SANDALS instrument
at the ISIS facility

Abstract: Lithium phosphorous oxynitrate (LiPON) are amorphous materials promising for being targeted for next generation solid-state batteries due to their chemical and mechanical stability against lithium metal. While these materials are synthetised as thin-films, bulk electrolytes have enhanced structural stability and mechanical strength, coupled with simple manufacturing and reduced interfacial damage. Here, we have synthetized for the first time LiPON in bulk, with the same composition of LiPON thin-films. Preliminary PDF analysis from silver-source X-ray measurements show that the oxygen atoms are in part coordinated with the phosphorous, while the nitrogen atoms are found at longer distances, with lower coordination than expected, as they might be involved in N-Li motifs. Our X-ray study cannot determine unambiguously the role of lithium in the glass arrangement, and therefore we are requesting one measurement on SANDALS (~2h). The aim of this measurement is twofold: firstly bulk LiPON is the best candidate for a quantitative structural characterization of these glasses including the occurrence (and not just the existence) of the bonding motifs; secondly the experimental results will be compared with the ones obtained from machine learning. When agreement is reached, we can then confidently use ML as a tool to predict the material structure and composition that maximise the electrochemical performances of these solid electrolytes.

Public release date: 09 December 2026

Principal Investigator: Professor Mauro Pasta
Experimenter: Dr Camilla Di Mino
Local Contact: Dr Tom Headen

DOI: 10.5286/ISIS.E.RB2300089-1

Parent DOI: 10.5286/ISIS.E.RB2300089

ISIS Experiment Number: RB2300089

Part Number: 1

This dataset is NOT yet publicly available.
The release date is: 09 December 2026

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the dataset

Date of Experiment: 08 December 2023

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Mauro Pasta et al; (2023): DM Xpress - Resolving the Structure of Bulk Li2.19PO2.8N0.53 Glass, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2300089-1

Data is released under the CC-BY-4.0 license.