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Figure 1
Initial models of α-LiFe5O8, (a) in P4332 and (b) in P43212 with site splitting for DFT simulation. For both starting models, a collinear ferrimagnetic spin order is configured with two sublattices of Fe3+ in FeO4 and FeO6 polyhedra.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 59| Part 4| August 2026| Pages 1307-1318
https://doi.org/10.1107/S1600576726006709
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