Data in support of crystal structures of highly-ordered long-period stacking-ordered phases with 18R, 14H and 10H-type stacking sequences in the Mg-Zn-Y system

Kyosuke Kishida; Kaito Nagai; Akihide Matsumoto; Haruyuki Inui

doi:10.1016/j.dib.2015.09.005

Data in support of crystal structures of highly-ordered long-period stacking-ordered phases with 18R, 14H and 10H-type stacking sequences in the Mg-Zn-Y system

Data Brief. 2015 Sep 25:5:314-20. doi: 10.1016/j.dib.2015.09.005. eCollection 2015 Dec.

Authors

Kyosuke Kishida¹, Kaito Nagai², Akihide Matsumoto², Haruyuki Inui¹

Affiliations

¹ Department of Materials Science and Engineering, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan ; Center for Elements Strategy Initiative for Structural Materials (ESISM), Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan.
² Department of Materials Science and Engineering, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan.

Abstract

The crystal structures of highly-ordered Mg-Zn-Y long-period stacking-ordered (LPSO) phases with the 18R, 14H and 10H-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 18R, 14H and 10H-type stacking sequences by first-principles density functional theory (DFT) calculations.