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Figure 12
(a) The variation in total electronic energy with molar volume, computed in CASTEP, for the two MgSO4·5H2O polymorphs. The solid lines represent Birch–Murnaghan third-order equations of state fitted to the points, the parameters of which are given in Table 4[link]. (b) The variation in enthalpy (in the athermal limit) relative to that of the [P{\overline 1}] phase.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 51| Part 3| June 2018| Pages 692-705
https://doi.org/10.1107/S1600576718003977
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