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Figure 6
Magnetic spin-pair correlations for bixbyite. (a) Spherically averaged radial spin correlations show antiferromagnetic first- and second-nearest-neighbor Fe–Mn (orange fill) and Mn–Mn (blue fill) pairs with the color indicating the bond type. (b) The corresponding 3D spin correlations in the xy plane with z = 0 reveal that the second-nearest-neighbor Fe–Mn antiferromagnetic (blue fill) correlations are stronger than the first. (c) The 3D correlations resolve the subtle differences in bond length between neighboring pairs (upper right) better than the magnetic 3D-ΔPDF (lower left). (d) A portion of the nearest-neighbor hexagonal network along a principal axis with manganese surrounding iron. Here, iron is placed at the origin (red fill).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 54| Part 6| December 2021| Pages 1867-1885
https://doi.org/10.1107/S1600576721010141
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