Anion order in perovskite oxynitrides

Minghui Yang, Judith Oro-Sole, Jennifer A. Rodgers, Ana Belen Jorge, Amparo Fuertes, J. Paul Attfield

Research output: Contribution to journalArticlepeer-review

Abstract

Transition-metal oxynitrides with perovskite-type structures are an emerging class of materials with optical, photocatalytic, dielectric and magnetoresistive properties that may be sensitive to oxide-nitride order, but the anion-ordering principles were unclear. Here we report an investigation of the representative compounds SrMO2N (M = Nb, Ta) using neutron and electron diffraction. This revealed a robust 1O/2(O-0.5 N-0.5) partial anion order (up to at least 750 degrees C in the apparently cubic high-temperature phases) that directs the rotations of MO4N2 octahedra in the room-temperature superstructure. The anion distribution is consistent with local cis-ordering of the two nitrides in each octahedron driven by covalency, which results in disordered zigzag M-N chains in planes within the perovskite lattice. Local structures for the full range of oxynitride perovskites are predicted and a future challenge is to tune properties by controlling the order and dimensionality of the anion chains and networks.

Original languageEnglish
Pages (from-to)47-52
Number of pages6
JournalNature Chemistry
Volume3
Issue number1
DOIs
Publication statusPublished - Jan 2011

Keywords

  • CRYSTAL-STRUCTURES
  • NEUTRON
  • DIFFRACTION
  • MOLYBDENUM(VI)
  • TEMPERATURE
  • BATAO2N
  • SR
  • BA
  • TA
  • NB

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