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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). |
IUCrJ
ISSN: 2052-2525
CHEMISTRY | CRYSTENG
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