Materials Data on CsUN3O11 by Materials Project

Dataset · Mon Jul 20 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1264922· OSTI ID:1264922

CsUN3O11 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to fourteen O2- atoms. There are a spread of Cs–O bond distances ranging from 3.19–3.58 Å. U6+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both U–O bond lengths are 1.80 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.29 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one N5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cs1+ and one U6+ atom.

• 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: 1264922
• Report Number(s): mp-541035
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cs-N-O-U
CsUN3O11
crystal structure