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Materials Data on MgGa2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1693065· OSTI ID:1693065
MgGa2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to five equivalent Mg and seven Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg5Ga7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.92–3.19 Å. There are a spread of Mg–Ga bond distances ranging from 3.00–3.07 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Mg and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.88–3.01 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Mg and six Ga atoms. The Ga–Ga bond length is 2.85 Å.
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:
1693065
Report Number(s):
mp-1094646
Country of Publication:
United States
Language:
English

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