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. 2017 May 30;8:15682. doi: 10.1038/ncomms15682

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Copyright © 2017, The Author(s)

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/

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(a) The antiferroelectric orthorhombic Pnma phase (AFE phase), characterized by the anti-polar distortions along the pseudo-cubic [110] direction, and oxygen octahedral tiltings (a⁻a⁻c⁺ in Glazer notations¹⁴). (b) The ferroelectric R3c phase (R phase), characterized by polar distortions and anti-phase tiltings about the [111] direction (a⁻a⁻a⁻). (c) The ferroelectric tetragonal P4mm phase (T phase), characterized by polar distortions along the [001] direction and no tiltings (a⁰a⁰c⁰). (d) The ferroelectric Amm2 orthorhombic phase (O phase), characterized by polar distortions along the [110] direction and no tiltings (a⁰a⁰c⁰). The VESTA code is used for the visualization⁴³. Arrows represent local electric dipoles.