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Figure 7
Molecular packing diagrams for I·2H2O(av), I·2H2O(supercell), and I·2H2O(mod). Water molecules are shown if their occupancies exceed 50%. Only water molecules are labeled and all H atoms on C atoms have been omitted. The vertical bars represent the lengths of the b axes. For the I·2H2O(mod), the t = 0 corresponds to the O6 atom coordinate y = 0.76343. |