Table 4. Crystal composition of the top five candidate crystal structures calculated by ClusterFinder for the simulated PDF from the ɛ-Keggin cluster cut out of the Al12O40 [Al13O4(OH)24(H2O)12]2(V2W4O19)3(OH)2(H2O)27 crystal structure (Son & Kwon, 2004 ▸).
| Ranked structure | Crystal composition | Reference |
|---|---|---|
| (I) | [Al13O4(OH)24(H2O)12](H2W12O40)(OH)(H2O)23.12 | Son et al. (2003 ▸) |
| (II) | [Al13O4(OH)24(H2O)12](CoW12O40)(OH)(H2O)20 | Son et al. (2003 ▸) |
| (III) | Ca2Mg2Fe2[Al14O31(OH)](Al2O)(Al)[Al(OH)] | Rastsvetaeva et al. (2010 ▸) |
| (IV) | [(GeO4)Al12(OH)24(H2O)12](SeO4)4(H2O)14 | Lee et al. (2001 ▸) |
| (V) | (Al2O3)13(SO3)6(H2O)79 | Nordstrom (1982 ▸) |