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Title: Materials Data on Mg3Au by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1191242· OSTI ID:1191242

Mg3Au crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to three equivalent Au atoms. There are two shorter (2.85 Å) and one longer (3.02 Å) Mg–Au bond lengths. In the second Mg site, Mg is bonded in a distorted trigonal planar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.74 Å. In the third Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.76 Å. Au is bonded in a 9-coordinate geometry to nine Mg atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1191242
Report Number(s):
mp-1557
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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