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Figure 9
Plot of lattice energy against cell volume per molecule for the unique structures within 5 kJ mol−1 of the global minimum denoted by the space group assigned after being run through the ADDSYM function of PLATON. The structures corresponding to the α and β forms using the same computational model are also shown.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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