Materials Data on MgGa2 by Materials Project

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

DOI:https://doi.org/10.17188/1704988· OSTI ID:1704988

MgGa2 is Titanium Disilicide structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.82–3.05 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to five equivalent Mg and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–3.11 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to five equivalent Mg and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–3.11 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to five equivalent Mg and five Ga atoms. There are one shorter (3.01 Å) and one longer (3.11 Å) Ga–Ga bond lengths.

• 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: 1704988
• Report Number(s): mp-1094682
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-Mg
MgGa2
crystal structure