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Figure 9
Plots of (a) energy–volume [E(V)] and (b) pressure–volume [P(V)] curves of α-ammonium carbamate, calculated using CASTEP. The solid lines show the best fit third-order Birch–Murnaghan equation of state [equations (S5) and (S6), BMEOS3]. (c)–(f) The relative change of the length of the unit-cell dimensions as a function of pressure of α-ammonium carbamate, showing the a axis (green), b axis (blue), c axis (red) and unit-cell volume (black). The shaded regions show the different compressive regimes explained in the text that are not obvious in the E(V) and P(V) curves. The dashed lines are simple linear fits to the points to guide the eye, where an equation of state cannot be fitted.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 78| Part 3| June 2022| Pages 459-475
https://doi.org/10.1107/S2052520622002645
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