Elsevier, Data in Brief, (5), p. 314-320, 2015
DOI: 10.1016/j.dib.2015.09.005
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The crystal structures of highly-ordered Mg-Zn-Y long-period stacking-ordered (LPSO) phases with the 18. R, 14. H and 10. H-type stacking sequences have been investigated by atomic-resolution scanning transmission electron microscopy (STEM) and transmission electron microscopy (Kishida et al., 2015) [1]. This data article provides supporting materials for the crystal structure analysis based on the crystallographic theory of the order-disorder (OD) structure and the crystallographic information obtained through the structural optimization for various simple polytypes of the highly-ordered Mg-Zn-Y LPSO phases with the 18. R, 14. H and 10. H-type stacking sequences by first-principles density functional theory (DFT) calculations.