Figure 2
(a) Experimental and calculated EOS for the C2/c and P21/c phases. For the P21/c phase data points, V0 is assumed to be the same as for the C2/c phase. (b) Lattice parameters for the P21/c phase (squares) and the C2/c phase (circles) obtained experimentally (empty symbols) and from DFT simulations (crossed symbols). |