Materials Data on MgGa2 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1273921· OSTI ID:1273921

MgGa2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.83–3.18 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to nine Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.86–3.23 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to four equivalent Mg and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–3.09 Å. In the second Ga site, Ga is bonded in a 11-coordinate geometry to six Mg and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–2.69 Å. In the third Ga site, Ga is bonded in a 8-coordinate geometry to three Mg and five Ga atoms. The Ga–Ga bond length is 2.58 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six Mg and three Ga 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: 1273921
• Report Number(s): mp-567539
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-Mg
MgGa2
crystal structure