Materials Data on U2C4NO15 by Materials Project

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

DOI:https://doi.org/10.17188/1736661· OSTI ID:1736661

(U(CO3)2)2NOO2 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules; two nitroxyl molecules; and two U(CO3)2 ribbons oriented in the (-1, 0, 1) direction. In each U(CO3)2 ribbon, U+4.50+ is bonded in a distorted pentagonal pyramidal geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.79–2.42 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U+4.50+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U+4.50+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U+4.50+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U+4.50+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one U+4.50+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U+4.50+ 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: 1736661
• Report Number(s): mp-1204041
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
C-N-O-U
U2C4NO15
crystal structure