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Title: Materials Data on RbUAuSe3 by Materials Project

Abstract

RbAuUSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to two equivalent Au1- and eight Se2- atoms. Both Rb–Au bond lengths are 3.85 Å. There are a spread of Rb–Se bond distances ranging from 3.55–3.70 Å. U6+ is bonded to four equivalent Au1- and six Se2- atoms to form a mixture of corner and face-sharing UAu4Se6 octahedra. The corner-sharing octahedral tilt angles are 22°. All U–Au bond lengths are 3.49 Å. All U–Se bond lengths are 2.88 Å. Au1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, four equivalent U6+, and four Se2- atoms. There are two shorter (2.57 Å) and two longer (2.70 Å) Au–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, two equivalent U6+, and one Au1- atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent U6+, and two equivalent Au1- atoms.

Authors:
Publication Date:
Other Number(s):
mp-867830
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; RbUAuSe3; Au-Rb-Se-U
OSTI Identifier:
1312196
DOI:
https://doi.org/10.17188/1312196

Citation Formats

The Materials Project. Materials Data on RbUAuSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312196.
The Materials Project. Materials Data on RbUAuSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1312196
The Materials Project. 2020. "Materials Data on RbUAuSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1312196. https://www.osti.gov/servlets/purl/1312196. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1312196,
title = {Materials Data on RbUAuSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbAuUSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to two equivalent Au1- and eight Se2- atoms. Both Rb–Au bond lengths are 3.85 Å. There are a spread of Rb–Se bond distances ranging from 3.55–3.70 Å. U6+ is bonded to four equivalent Au1- and six Se2- atoms to form a mixture of corner and face-sharing UAu4Se6 octahedra. The corner-sharing octahedral tilt angles are 22°. All U–Au bond lengths are 3.49 Å. All U–Se bond lengths are 2.88 Å. Au1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, four equivalent U6+, and four Se2- atoms. There are two shorter (2.57 Å) and two longer (2.70 Å) Au–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, two equivalent U6+, and one Au1- atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent U6+, and two equivalent Au1- atoms.},
doi = {10.17188/1312196},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}