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. 2019 May 1;7:268. doi: 10.3389/fchem.2019.00268

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Copyright © 2019 Leisegang, Meutzner, Zschornak, Münchgesang, Schmid, Nestler, Eremin, Kabanov, Blatov and Meyer.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Bond valence energy landscape (orange) of Al³⁺ in Na⁺-β”-alumina with Na being removed and the Al kept for the calculation (Al_10.35Mg_0.65Na_1.65O₁₇, ICSD #6326592) drawn at the energy threshold of 1.07 eV. Blue polyhedra denote AlO₆/AlO₄/MgO₄ octa- or tetrahedra. The calculations were performed according to Nestler et al. (2019b) using the program softBV (Adams and Rao, 2011).