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Figure 2 The M atom substructures in the I41/a non-split-atom model (a), the I41/a split-atom model (b) and the I41 model (c), projected along the a axis. The fully-occupied M atom site (yellow) in (a) becomes the split-atom site (blue) in (b), and turns into the fully-occupied one (black) in (c). All the other M atom sites (red) reside at similar positions in these substructures. Origin can be taken at any position along c in I41. The area corresponding to the I41/a unit cell is enclosed by green recta­ngle in (c).

ISSN: 2056-9890
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