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Title: Materials Data on UC2O9 by Materials Project

Abstract

UCO7CO2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four carbon dioxide molecules and two UCO7 clusters. In each UCO7 cluster, U is bonded in a 4-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.80–2.88 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.23 Å) and two longer (1.33 Å) C–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one U and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a single-bond geometry to one C 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 O atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a distorted linear geometry to one U and one C atom. In the seventh O site, O is bondedmore » in a distorted linear geometry to one U and one C atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1198839
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; UC2O9; C-O-U
OSTI Identifier:
1652958
DOI:
https://doi.org/10.17188/1652958

Citation Formats

The Materials Project. Materials Data on UC2O9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652958.
The Materials Project. Materials Data on UC2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1652958
The Materials Project. 2019. "Materials Data on UC2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1652958. https://www.osti.gov/servlets/purl/1652958. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1652958,
title = {Materials Data on UC2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {UCO7CO2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four carbon dioxide molecules and two UCO7 clusters. In each UCO7 cluster, U is bonded in a 4-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.80–2.88 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.23 Å) and two longer (1.33 Å) C–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one U and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a single-bond geometry to one C 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 O atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a distorted linear geometry to one U and one C atom. In the seventh O site, O is bonded in a distorted linear geometry to one U and one C atom.},
doi = {10.17188/1652958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}