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. 2021 Jun 7;11:11915. doi: 10.1038/s41598-021-91123-4

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© The Author(s) 2021

Open AccessThis 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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/.

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Low-T (ordered) and high-T (disordered) phases of bulk Li $_{2}$ B $_{12}$ H $_{12}$ . The low-T phase ( $α$ ) presents cubic symmetry and space group $P a \bar{3}$ ³⁰. In the high-T phase ( $β$ ), cubic symmetry is preserved but the Li $^{+}$ ions are highly mobile and the (BH) $_{12}^{- 2}$ icosahedra present reorientational disorder³². The T-induced $α \to β$ phase transition is an order–disorder isosymmetric transformation that is regarded as of first order³². Li, B, and H ions are represented with red, blue, and yellow colours, respectively.