 | Acta Crystallographica Section A Acta Crystallographica Section A FOUNDATIONS AND ADVANCES |
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![[Figure 3]](ae5007fig3mag.jpg)
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Figure 3
DFT energy of structures that interpolate between the structure for δ′ determined in this work and a distorted version proposed by Ellis et al. (2014  ). A displacement of 0.0 corresponds to our hexagonal solution, and 1.0 to the orthorhombic structure of Ellis et al. Energy is shown to increase with displacement, which demonstrates that the structure proposed by Ellis et al. is dynamically unstable. |
![[Figure 3]](ae5007fig3.jpg)
| FOUNDATIONS ADVANCES |
ISSN: 2053-2733
