view article
Figure 4
Calculated profiles of lattice parameters. (a) Calculated profiles of lattice lengths starting from the HP-tridymite structure. (b) Calculated profiles of lattice lengths starting from the MX1-tridymite structure. (c) Calculated profiles of lattice angles starting from the MX1-tridymite structure. Each profile corresponds to that during either heating or cooling. Conjectured structural types appearing during the simulation are indicated, accompanied by arrows.

IUCrJ
Volume 5| Part 3| May 2018| Pages 325-334
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518004803