Materials Data on Mn4Co11Ge5 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1734178· OSTI ID:1734178

Mn4Co11Ge5 is Heusler-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Co and three equivalent Ge atoms. All Mn–Co bond lengths are 2.48 Å. All Mn–Ge bond lengths are 2.87 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Co and six Ge atoms. There are one shorter (2.47 Å) and seven longer (2.48 Å) Mn–Co bond lengths. There are three shorter (2.86 Å) and three longer (2.87 Å) Mn–Ge bond lengths. There are six inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to four Mn and four Ge atoms. There are three shorter (2.48 Å) and one longer (2.49 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a body-centered cubic geometry to four Mn and four Ge atoms. All Co–Ge bond lengths are 2.48 Å. In the third Co site, Co is bonded in a body-centered cubic geometry to four equivalent Mn and four Ge atoms. All Co–Ge bond lengths are 2.48 Å. In the fourth Co site, Co is bonded in a 8-coordinate geometry to one Mn, three equivalent Co, and four equivalent Ge atoms. All Co–Co bond lengths are 2.48 Å. There are one shorter (2.46 Å) and three longer (2.48 Å) Co–Ge bond lengths. In the fifth Co site, Co is bonded in a distorted body-centered cubic geometry to three equivalent Mn, one Co, and four Ge atoms. The Co–Co bond length is 2.47 Å. All Co–Ge bond lengths are 2.48 Å. In the sixth Co site, Co is bonded in a 8-coordinate geometry to eight Co and six equivalent Ge atoms. All Co–Ge bond lengths are 2.86 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to six Mn and eight Co atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Co atoms. In the third Ge site, Ge is bonded in a distorted body-centered cubic geometry to eleven 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: 1734178
• Report Number(s): mp-1222148
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Ge-Mn
Mn4Co11Ge5
crystal structure