Materials Data on Co2SiGe by Materials Project

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

DOI:https://doi.org/10.17188/1751419· OSTI ID:1751419

Co2GeSi crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a 2-coordinate geometry to two equivalent Ge2+ and four equivalent Si4- atoms. There are one shorter (2.37 Å) and one longer (2.41 Å) Co–Ge bond lengths. There are a spread of Co–Si bond distances ranging from 2.35–2.54 Å. In the second Co1+ site, Co1+ is bonded in a 5-coordinate geometry to two equivalent Ge2+ and three equivalent Si4- atoms. There are one shorter (2.37 Å) and one longer (2.38 Å) Co–Ge bond lengths. There are a spread of Co–Si bond distances ranging from 2.31–2.57 Å. Ge2+ is bonded in a 8-coordinate geometry to four Co1+ and four equivalent Si4- atoms. There are two shorter (2.78 Å) and two longer (2.85 Å) Ge–Si bond lengths. Si4- is bonded in a 11-coordinate geometry to seven Co1+, four equivalent Ge2+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.80 Å.

• 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: 1751419
• Report Number(s): mp-1226449
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Ge-Si
Co2SiGe
crystal structure