Materials Data on Mn4Co4Si3Ge by Materials Project

Dataset · Sat Jul 18 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1665608· OSTI ID:1665608

Mn4Co4GeSi3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 11-coordinate geometry to six Co, two equivalent Ge, and three Si atoms. There are a spread of Mn–Co bond distances ranging from 2.66–2.83 Å. Both Mn–Ge bond lengths are 2.56 Å. There are one shorter (2.53 Å) and two longer (2.55 Å) Mn–Si bond lengths. In the second Mn site, Mn is bonded in a 11-coordinate geometry to six Co, two equivalent Ge, and three Si atoms. There are a spread of Mn–Co bond distances ranging from 2.68–2.80 Å. Both Mn–Ge bond lengths are 2.60 Å. There are two shorter (2.52 Å) and one longer (2.53 Å) Mn–Si bond lengths. In the third Mn site, Mn is bonded in a 11-coordinate geometry to six Co, one Ge, and four Si atoms. There are a spread of Mn–Co bond distances ranging from 2.64–2.76 Å. The Mn–Ge bond length is 2.57 Å. There are two shorter (2.52 Å) and two longer (2.56 Å) Mn–Si bond lengths. In the fourth Mn site, Mn is bonded in a 11-coordinate geometry to six Co and five Si atoms. There are a spread of Mn–Co bond distances ranging from 2.68–2.73 Å. There are three shorter (2.53 Å) and two longer (2.56 Å) Mn–Si bond lengths. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to six Mn and four Si atoms. There are three shorter (2.27 Å) and one longer (2.29 Å) Co–Si bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to six Mn, two equivalent Ge, and two Si atoms. Both Co–Ge bond lengths are 2.31 Å. There are one shorter (2.24 Å) and one longer (2.26 Å) Co–Si bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to six Mn, one Ge, and three Si atoms. The Co–Ge bond length is 2.33 Å. There are two shorter (2.25 Å) and one longer (2.29 Å) Co–Si bond lengths. In the fourth Co site, Co is bonded in a 12-coordinate geometry to six Mn, one Ge, and three Si atoms. The Co–Ge bond length is 2.37 Å. There are two shorter (2.27 Å) and one longer (2.29 Å) Co–Si bond lengths. Ge is bonded in a 9-coordinate geometry to five Mn and four Co atoms. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five Mn and four Co atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to five Mn and four Co atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to five Mn and four 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: 1665608
• Report Number(s): mp-1222104
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Ge-Mn-Si
Mn4Co4Si3Ge
crystal structure