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Title: Materials Data on UCl2O5 by Materials Project

Abstract

UO5Cl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four UO5 clusters and four Cl2 ribbons oriented in the (1, 0, 0) direction. In each UO5 cluster, U is bonded in a trigonal bipyramidal geometry to five O atoms. There is three shorter (1.82 Å) and two longer (1.84 Å) U–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In each Cl2 ribbon, Cl is bonded in a linear geometry to two equivalent Cl atoms. Both Cl–Cl bond lengths are 2.43 Å.

Publication Date:
Other Number(s):
mp-1179046
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; UCl2O5; Cl-O-U
OSTI Identifier:
1707588
DOI:
https://doi.org/10.17188/1707588

Citation Formats

The Materials Project. Materials Data on UCl2O5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707588.
The Materials Project. Materials Data on UCl2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1707588
The Materials Project. 2019. "Materials Data on UCl2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1707588. https://www.osti.gov/servlets/purl/1707588. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1707588,
title = {Materials Data on UCl2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {UO5Cl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four UO5 clusters and four Cl2 ribbons oriented in the (1, 0, 0) direction. In each UO5 cluster, U is bonded in a trigonal bipyramidal geometry to five O atoms. There is three shorter (1.82 Å) and two longer (1.84 Å) U–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In each Cl2 ribbon, Cl is bonded in a linear geometry to two equivalent Cl atoms. Both Cl–Cl bond lengths are 2.43 Å.},
doi = {10.17188/1707588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}