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Figure 3
Structures of the (a) [W12O40]6− α-Keggin ion, (b) [Mo7O24]6− cluster, (c) [Ca2Mn3O20]6− cluster and (d) [Sr2Mn3O20]6− cluster. (e) Comparison of the PDF from [W12O40]6−, [Mo7O24]6−, [Ca2Mn3O20]6− and [Sr2Mn3O20]6− cluster solutions at the highest concentrations acquired with the DCM (orange curves) and MLM (blue curves). (f) Refinement of the α-Keggin structure to the [W12O40]6− data, (g) heptamolybdate structure to the [Mo7O24]6− data, (h) a calcium–manganese cluster structure previously reported by Nayak et al. (2011BB33) to the [Ca2Mn3O20]6− data and (i) a strontium–manganese structure adapted from Nayak et al. (2011BB33) to the [Sr2Mn3O20]6− data. In (f)–(i) the experimental MLM PDF is shown in blue, while the experimental DCM is shown in orange. The calculated PDF from the model structures is shown in red and the difference curve in green.

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