Materials Data on U2Si5Rh3 by Materials Project

Dataset · Fri May 01 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1749534· OSTI ID:1749534

U2Rh3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are four inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 2.97–3.21 Å. In the second U5+ site, U5+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 2.97–3.21 Å. In the third U5+ site, U5+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 2.97–3.21 Å. In the fourth U5+ site, U5+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 2.97–3.21 Å. There are three inequivalent Rh+3.33+ sites. In the first Rh+3.33+ site, Rh+3.33+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.44 Å) and two longer (2.55 Å) Rh–Si bond lengths. In the second Rh+3.33+ site, Rh+3.33+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Rh–Si bond distances ranging from 2.35–2.43 Å. In the third Rh+3.33+ site, Rh+3.33+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Rh–Si bond distances ranging from 2.35–2.43 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to four U5+ and four Rh+3.33+ atoms. In the second Si4- site, Si4- is bonded in a 3-coordinate geometry to four U5+, three Rh+3.33+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.50 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to four U5+, three Rh+3.33+, and two Si4- atoms. The Si–Si bond length is 2.50 Å. In the fourth Si4- site, Si4- is bonded in a 3-coordinate geometry to four U5+, three Rh+3.33+, 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: 1749534
• Report Number(s): mp-1187808
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Rh-Si-U
U2Si5Rh3
crystal structure