Materials Data on MgZn by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1693086· OSTI ID:1693086

MgZn crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MgZn sheet oriented in the (0, 0, 1) direction. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Zn atoms. There are three shorter (2.83 Å) and three longer (2.85 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to three equivalent Zn atoms to form distorted corner-sharing MgZn3 cuboctahedra. All Mg–Zn bond lengths are 2.85 Å. In the third Mg site, Mg is bonded to three equivalent Zn atoms to form distorted corner-sharing MgZn3 cuboctahedra. All Mg–Zn bond lengths are 2.85 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to six Mg atoms. In the second Zn site, Zn is bonded in a 6-coordinate geometry to three equivalent Mg and three equivalent Zn atoms. All Zn–Zn bond lengths are 2.64 Å. In the third Zn site, Zn is bonded in a 6-coordinate geometry to three equivalent Mg and three equivalent Zn atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1693086
• Report Number(s): mp-1094429
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mg-Zn
MgZn
crystal structure