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We propose structure models of the unique long-period stacking/order (LPSO)phases formed in the Mg-Zn-RE alloys, based on Z-contrast scanning transmissionelectron microscopy (STEM) observations and first-principles calculations. TheLPSO structures are long-period stacking derivatives of the hcp-Mg structure,and the Zn/RE distributions are restricted at the four close-packed atomiclayers forming local fcc-stacking (i.e., a local ABCA stacking). Chemical orderis well developed for the LPSO phases formed in Mg97Zn1Er2 (14H-type) andMg85Zn6Y9 (18R-type) alloys with pronounced superlattice reflections, and therelevant Zn/RE distributions are clearly emerged in the Z-contrast atomicimages. Initial ternary-ordered models are constructed by placing all the atomsat the ideal honeycomb sites, leading to plausible space groups of P63/mcm for14H-type and C2/m, P3112 or P3212 for 18R-type. Characteristic ordered featureis well represented by the local Zn6RE8 clusters, which are embedded in thefcc-stacking layers in accordance with the L12-type short-range order.Energy-favored structural relaxations of the initial model cause significantdisplacements of the Zn/RE positions, implying that strong Zn-RE interactionsmay play a critical role for the phase stability. The LPSO phases seem totolerate a considerable degree of disorder at the Zn and RE sites withstatistical co-occupations by Mg, extending the non-stoichiometry phase regionbounded along the Zn/RE equi-atomic line from ~Mg94.0Zn2.0Y4.0 to~Mg83.3Zn8.3Y8.3.

Structure of long-period stacking/order Mg-Zn-RE (RE: rare-earth and Y) phases with extended non-stoichiometry ranges