Materials Data on Mn2GaCo4Ge by Materials Project

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

DOI:https://doi.org/10.17188/1716011· OSTI ID:1716011

Mn2Co4GaGe is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight Co, three equivalent Ga, and three equivalent Ge atoms. There are a spread of Mn–Co bond distances ranging from 2.47–2.49 Å. All Mn–Ga bond lengths are 2.85 Å. All Mn–Ge bond lengths are 2.88 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to four equivalent Mn, three equivalent Ga, and one Ge atom. All Co–Ga bond lengths are 2.49 Å. The Co–Ge bond length is 2.46 Å. In the second Co site, Co is bonded in a distorted body-centered cubic geometry to four equivalent Mn, one Ga, and three equivalent Ge atoms. The Co–Ga bond length is 2.50 Å. All Co–Ge bond lengths are 2.47 Å. In the third Co site, Co is bonded in a body-centered cubic geometry to four equivalent Mn, three equivalent Ga, and one Ge atom. There are three shorter (2.47 Å) and one longer (2.48 Å) Co–Mn bond lengths. All Co–Ga bond lengths are 2.49 Å. The Co–Ge bond length is 2.46 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Co atoms. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Co 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: 1716011
• Report Number(s): mp-1222096
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Ga-Ge-Mn
Mn2GaCo4Ge
crystal structure