Behaviour of polyhedra in Sr2NiMoO6 at high pressure and temperature

C. L. Bull; C. J. Ridley; N. P. Funnell; K. S. Knight

doi:10.1016/j.jssc.2020.121474

Behaviour of polyhedra in Sr₂NiMoO₆ at high pressure and temperature

C. L. Bull, C. J. Ridley, N. P. Funnell, K. S. Knight

Research output: Contribution to journal › Article › peer-review

Abstract

The high-pressure behaviour of Sr₂NiMoO₆ has been measured up to ∼6 GPa using neutron powder diffraction. With increasing pressure the tetragonal (I4/m) symmetry is maintained and the structure becomes more distorted. The distortion is a result of increased octahedral tilting away from the idealised cubic symmetry by rotation around the c-axis in the ab plane. The pressure equation of state has been determined and gives values of V₀ = 243.10(2) Å³, B₀ = 155(2) GPa and B’ = 3.1(6). We also report the high temperature behaviour at ambient pressure and observe a transition from tetragonal to cubic symmetry at ∼ 573 K.

Original language	English
Article number	121474
Journal	Journal of Solid State Chemistry
Volume	290
DOIs	https://doi.org/10.1016/j.jssc.2020.121474
State	Published - Oct 2020
Externally published	Yes

Funding

The authors wist to thanks STFC for access to the ISIS neutron and muon facility [39]. Ron Smith for help in collecting data on the POLARIS instrument, We also acknowledge the help of Daniel Nye and Gavin Stenning of the MCL at the ISIS Neutron and Muon Facility.

Keywords

High-pressure
High-temperature
Neutron diffraction
Octahedral tilting
Perovskite
SrNiMoO

Access to Document

10.1016/j.jssc.2020.121474

Cite this

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title = "Behaviour of polyhedra in Sr2NiMoO6 at high pressure and temperature",

abstract = "The high-pressure behaviour of Sr2NiMoO6 has been measured up to ∼6 GPa using neutron powder diffraction. With increasing pressure the tetragonal (I4/m) symmetry is maintained and the structure becomes more distorted. The distortion is a result of increased octahedral tilting away from the idealised cubic symmetry by rotation around the c-axis in the ab plane. The pressure equation of state has been determined and gives values of V0 = 243.10(2) {\AA}3, B0 = 155(2) GPa and B{\textquoteright} = 3.1(6). We also report the high temperature behaviour at ambient pressure and observe a transition from tetragonal to cubic symmetry at ∼ 573 K.",

keywords = "High-pressure, High-temperature, Neutron diffraction, Octahedral tilting, Perovskite, SrNiMoO",

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journal = "Journal of Solid State Chemistry",

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T1 - Behaviour of polyhedra in Sr2NiMoO6 at high pressure and temperature

AU - Bull, C. L.

AU - Ridley, C. J.

AU - Funnell, N. P.

AU - Knight, K. S.

PY - 2020/10

Y1 - 2020/10

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AB - The high-pressure behaviour of Sr2NiMoO6 has been measured up to ∼6 GPa using neutron powder diffraction. With increasing pressure the tetragonal (I4/m) symmetry is maintained and the structure becomes more distorted. The distortion is a result of increased octahedral tilting away from the idealised cubic symmetry by rotation around the c-axis in the ab plane. The pressure equation of state has been determined and gives values of V0 = 243.10(2) Å3, B0 = 155(2) GPa and B’ = 3.1(6). We also report the high temperature behaviour at ambient pressure and observe a transition from tetragonal to cubic symmetry at ∼ 573 K.

KW - High-pressure

KW - High-temperature

KW - Neutron diffraction

KW - Octahedral tilting

KW - Perovskite

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