Identifying interstitial oxide in a new melilite compound

DOI

We have recently developed a computational method to accelerate inorganic materials discovery by identifying compositions that are likely to yield new compounds. To demonstrate the method, we have identified a small region of the Sr-Y-Ca-Ga-O phase field and discovered two new compounds with two new structures within it. This work is currently in revision at Nature. As a response to initial reviews, we have successfully modified one of our new compounds (a structural derivative of melilite) to enhance its oxide ion conductivity, in an attempt to demonstrate that our route may lead to new functional materials. We wish to collect neutron powder diffraction on the modified melilite to identify the interstitial oxide ions that provide the ionic conductivity, and hence underpin our physical observations with structural understanding, to form a key part of the revised manuscript.

Identifier
DOI https://doi.org/10.5286/ISIS.E.84777644
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/84777644
Provenance
Creator Dr Ron Smith; Dr Matthew Rosseinsky; Dr John Claridge; Dr Michael Pitcher; Mr William Thomas
Publisher ISIS Neutron and Muon Source
Publication Year 2020
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences
Temporal Coverage Begin 2017-02-24T08:00:00Z
Temporal Coverage End 2017-02-25T08:00:00Z