Materials Data on U2Si5Ru2Rh by Materials Project

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

DOI:https://doi.org/10.17188/1714187· OSTI ID:1714187

U2Ru2RhSi5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U6+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 2.99–3.28 Å. Ru+2.50+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.36–2.48 Å. Rh3+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are a spread of Rh–Si bond distances ranging from 2.42–2.62 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent U6+, one Ru+2.50+, two equivalent Rh3+, and two Si4- atoms. There are one shorter (2.50 Å) and one longer (2.54 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent U6+ and four equivalent Ru+2.50+ atoms. In the third Si4- site, Si4- is bonded in a 3-coordinate geometry to four equivalent U6+, two equivalent Ru+2.50+, one Rh3+, and two equivalent Si4- atoms. In the fourth Si4- site, Si4- is bonded in a 3-coordinate geometry to four equivalent U6+, two equivalent Ru+2.50+, one Rh3+, and two equivalent Si4- 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: 1714187
• Report Number(s): mp-1216831
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Rh-Ru-Si-U
U2Si5Ru2Rh
crystal structure