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Figure 4
Histograms of next-neighbour atomic distances of the compounds (a) AT-19, (b) ACT-45 and (c) ACT-71. Frequencies are calculated for the atoms within one unit cell and for ordered atoms only. Cu distances in ACT-45 and ACT-71 are therefore not shown as Cu is only found on Al/Cu mixed sites. The bin size of the histograms is 0.02 Å. All next-neighbour distances are within the range of the expected distances apart from a few outliers with very short distances (∼ 2.2 Å for Al—Al and ∼ 2.5 Å for Ta—Ta). Interestingly the short distances are consistently found in ACT-45 and in ACT-71. For a discussion on the short distances see part II of this series.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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