Anion order in perovskite oxynitrides

Minghui Yang; Judith Oró-Solée; Jennifer A. Rodgers; Ana Belén Jorge; Amparo Fuertes; J. Paul Attfield

doi:10.1038/nchem.908

Anion order in perovskite oxynitrides

Minghui Yang, Judith Oró-Solée, Jennifer A. Rodgers, Ana Belén Jorge, Amparo Fuertes, J. Paul Attfield

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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(O0.5 N 0.5) partial anion order (up to at least 750 °C in the apparently cubic high-temperature phases) that directs the rotations of MO4 N2 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. © 2011 Macmillan Publishers Limited. All rights reserved.

Original language	English
Pages (from-to)	47-52
Journal	Nature Chemistry
Volume	3
Issue number	1
DOIs	https://doi.org/10.1038/nchem.908
Publication status	Published - 1 Jan 2011

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title = "Anion order in perovskite oxynitrides",

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(O0.5 N 0.5) partial anion order (up to at least 750 °C in the apparently cubic high-temperature phases) that directs the rotations of MO4 N2 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. {\textcopyright} 2011 Macmillan Publishers Limited. All rights reserved.",

author = "Minghui Yang and Judith Or{\'o}-Sol{\'e}e and Rodgers, {Jennifer A.} and Jorge, {Ana Bel{\'e}n} and Amparo Fuertes and Attfield, {J. Paul}",

year = "2011",

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doi = "10.1038/nchem.908",

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AU - Yang, Minghui

AU - Oró-Solée, Judith

AU - Rodgers, Jennifer A.

AU - Jorge, Ana Belén

AU - Fuertes, Amparo

AU - Attfield, J. Paul

PY - 2011/1/1

Y1 - 2011/1/1

N2 - 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(O0.5 N 0.5) partial anion order (up to at least 750 °C in the apparently cubic high-temperature phases) that directs the rotations of MO4 N2 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. © 2011 Macmillan Publishers Limited. All rights reserved.

AB - 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(O0.5 N 0.5) partial anion order (up to at least 750 °C in the apparently cubic high-temperature phases) that directs the rotations of MO4 N2 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. © 2011 Macmillan Publishers Limited. All rights reserved.

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JO - Nature Chemistry

JF - Nature Chemistry

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Anion order in perovskite oxynitrides

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