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.

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
• Public URL: https://durham-repository.worktribe.com/output/1372487
• Related Public URLs: https://ora.ox.ac.uk/objects/uuid:be04d5bb-72f1-4a39-a917-b6323a64d45f