Local structures of Si2(O,N)7 ditetrahedra in J-phase

J. Takahashi, M. Shimada, H. Yamane

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

2 Citations (Scopus)


Oxygen/nitrogen (O/N) configuration in RE-J-phase, RE4Si 2O7N2 (RE = rare earth element), was simulated by the Monte Carlo method applied to O/N distribution models. Proportion of local structures of Si2(O5N)7 ditetrahedra and Si(O,N)4 tetrahedra in the J-phase was quantitatively assessed. For the Lu-J-phase model with the bridging site between two Si atoms being occupied by nitrogen atom, the Si2(O,N)7 ditetrahedra composed of O3=Si-N-Si=O2N (> 40%), O3=Si-N- Si≡O3 (c.a. 30 %), and O2N≡Si-N≡SiO 2N(c.a. 15 %). Tetrahedra of SiO3N and SiO 2N2 were dominant and small amount of SiON3 tetrahedra coexisted. For La-J-phase model with the O/N occupancy of 0.1/0.9 at the bridging site, configurations of O3≡Si-O-Si≡O 2N (c.a. 5%), O3≡Si-O-Si≡O3 (c.a. 3%), and O2N=Si-O-Si≡O2N (c.a. 2%) were demonstrated in addition to the three configurations of ditretrahedra recognized in the Lu-J-phase. In La-J-phase coexistence of SiO4 tetrahedra was presented.

Original languageEnglish
Title of host publicationNitrides and Oxynitrides III - Proceedings of the 5th International Symposium on Nitrides
PublisherTrans Tech Publications Ltd
Number of pages7
ISBN (Print)0878494391, 9780878494392
Publication statusPublished - 2007
Event5th International Symposium on Nitrides - Eskisehir, Turkey
Duration: 2006 Apr 32006 Apr 5

Publication series

NameMaterials Science Forum
ISSN (Print)0255-5476
ISSN (Electronic)1662-9752


Conference5th International Symposium on Nitrides


  • J-phase
  • Local structure
  • Rare-earth silicon oxynitrides
  • Simulation


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