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Title: Materials Data on UCl5 by Materials Project

Abstract

UCl5 is Copper structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two UCl5 clusters. U5+ is bonded to six Cl1- atoms to form edge-sharing UCl6 octahedra. There are a spread of U–Cl bond distances ranging from 2.47–2.73 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent U5+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom.

Publication Date:
Other Number(s):
mp-570989
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; UCl5; Cl-U
OSTI Identifier:
1276038
DOI:
https://doi.org/10.17188/1276038

Citation Formats

The Materials Project. Materials Data on UCl5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276038.
The Materials Project. Materials Data on UCl5 by Materials Project. United States. doi:https://doi.org/10.17188/1276038
The Materials Project. 2020. "Materials Data on UCl5 by Materials Project". United States. doi:https://doi.org/10.17188/1276038. https://www.osti.gov/servlets/purl/1276038. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1276038,
title = {Materials Data on UCl5 by Materials Project},
author = {The Materials Project},
abstractNote = {UCl5 is Copper structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two UCl5 clusters. U5+ is bonded to six Cl1- atoms to form edge-sharing UCl6 octahedra. There are a spread of U–Cl bond distances ranging from 2.47–2.73 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent U5+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom.},
doi = {10.17188/1276038},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}