Materials Data on U2Co3Si5 by Materials Project

Dataset · Tue Jul 14 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1196457· OSTI ID:1196457

U2Co3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. U3+ is bonded in a 1-coordinate geometry to ten Si+2.40- atoms. There are a spread of U–Si bond distances ranging from 2.83–3.09 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.32 Å) and two longer (2.53 Å) Co–Si bond lengths. In the second Co2+ site, Co2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.26–2.35 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent U3+, three Co2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.46 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent U3+, three Co2+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.79 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent U3+ and four equivalent Co2+ 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: 1196457
• Report Number(s): mp-21178
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Si-U
U2Co3Si5
crystal structure