La2SrCr2O7: Controlling the Tilting Distortions of n=2 Ruddlesden-Popper Phases through A-Site Cation Order

Zhang, R.H.; Abbett, B.M.; Read, G.; Lang, F.; Lancaster, T.; Tran, T.T.; Halasyarnani, P.S.; Blundell, S.J.; Benedek, N.A.; Hayward, M.A.

doi:10.1021/acs.inorgchem.6b01445

La2SrCr2O7: Controlling the Tilting Distortions of n=2 Ruddlesden-Popper Phases through A-Site Cation Order

Zhang, R.H.; Abbett, B.M.; Read, G.; Lang, F.; Lancaster, T.; Tran, T.T.; Halasyarnani, P.S.; Blundell, S.J.; Benedek, N.A.; Hayward, M.A.

Authors

R.H. Zhang

B.M. Abbett

G. Read

F. Lang

Professor Tom Lancaster tom.lancaster@durham.ac.uk
Professor

T.T. Tran

P.S. Halasyarnani

S.J. Blundell

N.A. Benedek

M.A. Hayward

Abstract

The n = 2 Ruddlesden−Popper phase La2SrCr2O7 adopts a highly unusual structural configuration in which the cooperative rotations of the CrO6 octahedra are out of phase in all three Cartesian directions (ΦΦΦz/ΦΦΦz; a−a−c−/a−a−c−). First-principles DFT calculations indicate that this unusual structural arrangement can be attributed to coupling between the La/Sr A-site distribution and the rotations of the CrO6 units, which combine to relieve the local deformations of the chromium−oxygen octahedra.

Citation

Zhang, R., Abbett, B., Read, G., Lang, F., Lancaster, T., Tran, T., …Hayward, M. (2016). La2SrCr2O7: Controlling the Tilting Distortions of n=2 Ruddlesden-Popper Phases through A-Site Cation Order. Inorganic Chemistry, 55(17), 8951-8960. https://doi.org/10.1021/acs.inorgchem.6b01445

Journal Article Type	Article
Acceptance Date	Nov 5, 2016
Online Publication Date	Aug 9, 2016
Publication Date	Sep 6, 2016
Deposit Date	Oct 18, 2016
Publicly Available Date	May 25, 2018
Journal	Inorganic Chemistry
Print ISSN	0020-1669
Electronic ISSN	1520-510X
Publisher	American Chemical Society
Peer Reviewed	Peer Reviewed
Volume	55
Issue	17
Pages	8951-8960
DOI	https://doi.org/10.1021/acs.inorgchem.6b01445
Related Public URLs	https://ora.ox.ac.uk/objects/uuid:be04d5bb-72f1-4a39-a917-b6323a64d45f

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Copyright Statement
Supporting Information This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic chemistry, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.inorgchem.6b01445.