Materials Data on U2Re3Si5 by Materials Project

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

DOI:https://doi.org/10.17188/1663553· OSTI ID:1663553

U2Re3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. U5+ is bonded in a 9-coordinate geometry to nine Si4- atoms. There are a spread of U–Si bond distances ranging from 2.91–3.19 Å. There are two inequivalent Re+3.33+ sites. In the first Re+3.33+ site, Re+3.33+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Re–Si bond distances ranging from 2.44–2.54 Å. In the second Re+3.33+ site, Re+3.33+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.46 Å) and two longer (2.74 Å) Re–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent U5+, four Re+3.33+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.59 Å. In the second Si4- site, Si4- is bonded in a 11-coordinate geometry to four equivalent U5+, three Re+3.33+, and four Si4- atoms. Both Si–Si bond lengths are 2.74 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent U5+, four equivalent Re+3.33+, and one Si4- atom. The Si–Si bond length is 2.54 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: 1663553
• Report Number(s): mp-1197351
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Re-Si-U
U2Re3Si5
crystal structure