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Title: Materials Data on Rb2UBr5 by Materials Project

Abstract

Rb2UBr5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.47–3.75 Å. U3+ is bonded to seven Br1- atoms to form distorted edge-sharing UBr7 pentagonal bipyramids. There are a spread of U–Br bond distances ranging from 2.93–3.04 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent Rb1+ and one U3+ atom to form a mixture of distorted edge, corner, and face-sharing BrRb4U trigonal bipyramids. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one U3+ atom. In the third Br1- site, Br1- is bonded to four equivalent Rb1+ and one U3+ atom to form a mixture of distorted edge, corner, and face-sharing BrRb4U trigonal bipyramids. In the fourth Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent U3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1209530
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; Rb2UBr5; Br-Rb-U
OSTI Identifier:
1719671
DOI:
https://doi.org/10.17188/1719671

Citation Formats

The Materials Project. Materials Data on Rb2UBr5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719671.
The Materials Project. Materials Data on Rb2UBr5 by Materials Project. United States. doi:https://doi.org/10.17188/1719671
The Materials Project. 2020. "Materials Data on Rb2UBr5 by Materials Project". United States. doi:https://doi.org/10.17188/1719671. https://www.osti.gov/servlets/purl/1719671. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1719671,
title = {Materials Data on Rb2UBr5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2UBr5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.47–3.75 Å. U3+ is bonded to seven Br1- atoms to form distorted edge-sharing UBr7 pentagonal bipyramids. There are a spread of U–Br bond distances ranging from 2.93–3.04 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent Rb1+ and one U3+ atom to form a mixture of distorted edge, corner, and face-sharing BrRb4U trigonal bipyramids. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one U3+ atom. In the third Br1- site, Br1- is bonded to four equivalent Rb1+ and one U3+ atom to form a mixture of distorted edge, corner, and face-sharing BrRb4U trigonal bipyramids. In the fourth Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent U3+ atoms.},
doi = {10.17188/1719671},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}