Correlated N/O anion orders in melilite phosphors

Paula Kayser, Hannah E. Johnston, Mu- Hai Fang, David A. Keen, Ru Shi Liu, J. Paul Attfield

Research output: Contribution to journalArticlepeer-review


The N/O anion distributions in the melilite-type phosphor host material Y2Si3O3N4 and a Ce-doped sample Y1.5Ce0.5Si3O3N4 have been determined from powder neutron diffraction. Both materials have a highly ordered N/O distribution that is not changed significantly by the disorder introduced by Ce doping. This distribution evidences the presence of SiN3O and SiN2O2 tetrahedra and although these are not fully long range-ordered, local structural correlations follow simple connectivity rules that lead to an estimated residual molar entropy of R ln3. A broad range of N/O environments is found around 8-coordinate Y(Ce) sites which is expected to broaden their spectroscopic features.
Original languageEnglish
Pages (from-to)121198
JournalJournal of Solid State Chemistry
Early online date17 Jan 2020
Publication statusE-pub ahead of print - 17 Jan 2020


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