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Figure 7
Structure determination of SU-72 through a combination of FOX and pCF. Three Ge7 clusters were input to FOX with random starting positions (a). FOX finds the approximate positions of the Ge7 clusters but with incorrect orientations (b). The model generated by FOX was used as a starting model to set the initial structure factor phases for pCF. The structure is successfully solved by pCF (c). O atoms have been omitted for clarity. Octahedral, trigonal bipyramidal and tetrahedral Ge atoms are shown in red, yellow and green, respectively.

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