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Title: Materials Data on U(ClO)2 by Materials Project

Abstract

UO2Cl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U6+ is bonded in a distorted linear geometry to three O2- and four equivalent Cl1- atoms. There are a spread of U–O bond distances ranging from 1.78–2.52 Å. There are two shorter (2.73 Å) and two longer (2.78 Å) U–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. Cl1- is bonded in a 2-coordinate geometry to two equivalent U6+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-23013
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; U(ClO)2; Cl-O-U
OSTI Identifier:
1199165
DOI:
https://doi.org/10.17188/1199165

Citation Formats

The Materials Project. Materials Data on U(ClO)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1199165.
The Materials Project. Materials Data on U(ClO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1199165
The Materials Project. 2019. "Materials Data on U(ClO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1199165. https://www.osti.gov/servlets/purl/1199165. Pub date:Sat Nov 16 00:00:00 EST 2019
@article{osti_1199165,
title = {Materials Data on U(ClO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {UO2Cl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U6+ is bonded in a distorted linear geometry to three O2- and four equivalent Cl1- atoms. There are a spread of U–O bond distances ranging from 1.78–2.52 Å. There are two shorter (2.73 Å) and two longer (2.78 Å) U–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. Cl1- is bonded in a 2-coordinate geometry to two equivalent U6+ atoms.},
doi = {10.17188/1199165},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Nov 16 00:00:00 EST 2019},
month = {Sat Nov 16 00:00:00 EST 2019}
}