Materials Data on UBr4O9 by Materials Project
Abstract
U(O2Br)3O2BrO crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules; one BrO cluster; and two U(O2Br)3 ribbons oriented in the (1, 1, 0) direction. In the BrO cluster, O2- is bonded in a distorted L-shaped geometry to two equivalent Br+3.50+ atoms. There are one shorter (1.73 Å) and one longer (2.39 Å) O–Br bond lengths. Br+3.50+ is bonded in a distorted L-shaped geometry to two equivalent O2- atoms. In each U(O2Br)3 ribbon, U4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.82–2.42 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one U4+ and one Br+3.50+ atom. The O–Br bond length is 1.87 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U4+ and one Br+3.50+ atom. The O–Br bond length is 1.76 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1193874
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; UBr4O9; Br-O-U
- OSTI Identifier:
- 1689749
- DOI:
- https://doi.org/10.17188/1689749
Citation Formats
The Materials Project. Materials Data on UBr4O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1689749.
The Materials Project. Materials Data on UBr4O9 by Materials Project. United States. doi:https://doi.org/10.17188/1689749
The Materials Project. 2020.
"Materials Data on UBr4O9 by Materials Project". United States. doi:https://doi.org/10.17188/1689749. https://www.osti.gov/servlets/purl/1689749. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689749,
title = {Materials Data on UBr4O9 by Materials Project},
author = {The Materials Project},
abstractNote = {U(O2Br)3O2BrO crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules; one BrO cluster; and two U(O2Br)3 ribbons oriented in the (1, 1, 0) direction. In the BrO cluster, O2- is bonded in a distorted L-shaped geometry to two equivalent Br+3.50+ atoms. There are one shorter (1.73 Å) and one longer (2.39 Å) O–Br bond lengths. Br+3.50+ is bonded in a distorted L-shaped geometry to two equivalent O2- atoms. In each U(O2Br)3 ribbon, U4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.82–2.42 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one U4+ and one Br+3.50+ atom. The O–Br bond length is 1.87 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U4+ and one Br+3.50+ atom. The O–Br bond length is 1.76 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U4+ and one Br+3.50+ atom. The O–Br bond length is 1.79 Å. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one U4+ and one Br+3.50+ atom. The O–Br bond length is 1.87 Å. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. There are three inequivalent Br+3.50+ sites. In the first Br+3.50+ site, Br+3.50+ is bonded in a single-bond geometry to one O2- atom. In the second Br+3.50+ site, Br+3.50+ is bonded in a single-bond geometry to one O2- atom. In the third Br+3.50+ site, Br+3.50+ is bonded in a linear geometry to two O2- atoms.},
doi = {10.17188/1689749},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}