Materials Data on Co3SiGe2 by Materials Project

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

DOI:https://doi.org/10.17188/1696455· OSTI ID:1696455

Co3Ge2Si crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Co sites. In the first Co site, Co is bonded in a 7-coordinate geometry to four Ge and three Si atoms. There are a spread of Co–Ge bond distances ranging from 2.36–2.55 Å. There are a spread of Co–Si bond distances ranging from 2.31–2.60 Å. In the second Co site, Co is bonded in a 7-coordinate geometry to six Ge and one Si atom. There are a spread of Co–Ge bond distances ranging from 2.37–2.59 Å. The Co–Si bond length is 2.32 Å. In the third Co site, Co is bonded in a 7-coordinate geometry to six Ge and one Si atom. There are a spread of Co–Ge bond distances ranging from 2.37–2.60 Å. The Co–Si bond length is 2.32 Å. In the fourth Co site, Co is bonded in a 7-coordinate geometry to four Ge and three Si atoms. There are a spread of Co–Ge bond distances ranging from 2.36–2.58 Å. There are two shorter (2.32 Å) and one longer (2.62 Å) Co–Si bond lengths. In the fifth Co site, Co is bonded in a 7-coordinate geometry to five Ge and two equivalent Si atoms. There are a spread of Co–Ge bond distances ranging from 2.38–2.55 Å. There are one shorter (2.35 Å) and one longer (2.56 Å) Co–Si bond lengths. In the sixth Co site, Co is bonded in a 7-coordinate geometry to five Ge and two equivalent Si atoms. There are a spread of Co–Ge bond distances ranging from 2.38–2.55 Å. There are one shorter (2.35 Å) and one longer (2.56 Å) Co–Si bond lengths. In the seventh Co site, Co is bonded in a 7-coordinate geometry to three Ge and four Si atoms. There are a spread of Co–Ge bond distances ranging from 2.38–2.52 Å. There are a spread of Co–Si bond distances ranging from 2.36–2.56 Å. In the eighth Co site, Co is bonded in a 7-coordinate geometry to five Ge and two Si atoms. There are a spread of Co–Ge bond distances ranging from 2.38–2.56 Å. There are one shorter (2.34 Å) and one longer (2.57 Å) Co–Si bond lengths. In the ninth Co site, Co is bonded in a 7-coordinate geometry to five Ge and two Si atoms. There are a spread of Co–Ge bond distances ranging from 2.38–2.55 Å. There are one shorter (2.36 Å) and one longer (2.57 Å) Co–Si bond lengths. In the tenth Co site, Co is bonded in a 7-coordinate geometry to four Ge and three Si atoms. There are a spread of Co–Ge bond distances ranging from 2.40–2.54 Å. There are a spread of Co–Si bond distances ranging from 2.35–2.55 Å. In the eleventh Co site, Co is bonded in a 7-coordinate geometry to four Ge and three Si atoms. There are a spread of Co–Ge bond distances ranging from 2.37–2.54 Å. There are a spread of Co–Si bond distances ranging from 2.35–2.57 Å. In the twelfth Co site, Co is bonded in a 7-coordinate geometry to five Ge and two equivalent Si atoms. There are a spread of Co–Ge bond distances ranging from 2.38–2.56 Å. There are one shorter (2.35 Å) and one longer (2.56 Å) Co–Si bond lengths. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to seven Co and two equivalent Si atoms. There are one shorter (2.83 Å) and one longer (2.84 Å) Ge–Si bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to seven Co and two equivalent Si atoms. There are one shorter (2.83 Å) and one longer (2.84 Å) Ge–Si bond lengths. In the third Ge site, Ge is bonded in a 7-coordinate geometry to seven Co and three Si atoms. There are a spread of Ge–Si bond distances ranging from 2.79–2.86 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to seven Co and three Si atoms. There are one shorter (2.83 Å) and two longer (2.85 Å) Ge–Si bond lengths. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to seven Co and two equivalent Si atoms. There are one shorter (2.83 Å) and one longer (2.84 Å) Ge–Si bond lengths. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to seven Co and four Si atoms. There are a spread of Ge–Si bond distances ranging from 2.80–2.87 Å. In the seventh Ge site, Ge is bonded in a 7-coordinate geometry to seven Co and two Si atoms. There are one shorter (2.83 Å) and one longer (2.84 Å) Ge–Si bond lengths. In the eighth Ge site, Ge is bonded in a 7-coordinate geometry to seven Co and two Si atoms. There are one shorter (2.83 Å) and one longer (2.85 Å) Ge–Si bond lengths. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 11-coordinate geometry to seven Co, four Ge, and two equivalent Si atoms. Both Si–Si bond lengths are 2.80 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to seven Co and six Ge atoms. In the third Si site, Si is bonded in a 7-coordinate geometry to seven Co and six Ge atoms. In the fourth Si site, Si is bonded in a 5-coordinate geometry to seven Co, four Ge, and two equivalent Si 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: 1696455
• Report Number(s): mp-1226179
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Ge-Si
Co3SiGe2
crystal structure