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Materials Data on Mg2Ga by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1683339· OSTI ID:1683339
Mg2Ga crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg2Ga sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of corner, edge, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.09–3.20 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg9Ga3 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. All Mg–Ga bond lengths are 3.04 Å. Ga is bonded in a 12-coordinate geometry to three equivalent Mg 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:
1683339
Report Number(s):
mp-1094623
Country of Publication:
United States
Language:
English

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