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Title: Materials Data on UBrO5 by Materials Project

Abstract

UO5Br crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one UO5Br sheet oriented in the (1, 0, 0) direction. U5+ is bonded to six O2- atoms to form distorted edge-sharing UO6 octahedra. There are a spread of U–O bond distances ranging from 1.82–2.45 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent U5+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one U5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one U5+ and one Br5+ atom. The O–Br bond length is 1.73 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one U5+ and one Br5+ atom. The O–Br bond length is 1.73 Å. Br5+ is bonded in a bent 120 degrees geometry to two O2- atoms.

Publication Date:
Other Number(s):
mp-1193525
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; UBrO5; Br-O-U
OSTI Identifier:
1682855
DOI:
https://doi.org/10.17188/1682855

Citation Formats

The Materials Project. Materials Data on UBrO5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1682855.
The Materials Project. Materials Data on UBrO5 by Materials Project. United States. doi:https://doi.org/10.17188/1682855
The Materials Project. 2019. "Materials Data on UBrO5 by Materials Project". United States. doi:https://doi.org/10.17188/1682855. https://www.osti.gov/servlets/purl/1682855. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1682855,
title = {Materials Data on UBrO5 by Materials Project},
author = {The Materials Project},
abstractNote = {UO5Br crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one UO5Br sheet oriented in the (1, 0, 0) direction. U5+ is bonded to six O2- atoms to form distorted edge-sharing UO6 octahedra. There are a spread of U–O bond distances ranging from 1.82–2.45 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent U5+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one U5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one U5+ and one Br5+ atom. The O–Br bond length is 1.73 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one U5+ and one Br5+ atom. The O–Br bond length is 1.73 Å. Br5+ is bonded in a bent 120 degrees geometry to two O2- atoms.},
doi = {10.17188/1682855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}