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Title: Materials Data on UC2O9 by Materials Project

Abstract

UO2CO3CO2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four carbon dioxide molecules, four oxygen molecules, and two UO2CO3 clusters. In each UO2CO3 cluster, U is bonded in a 3-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.82–2.46 Å. C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are five 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 distorted bent 120 degrees geometry to one U and one C atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one U and one C atom.

Publication Date:
Other Number(s):
mp-1198555
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; UC2O9; C-O-U
OSTI Identifier:
1706751
DOI:
https://doi.org/10.17188/1706751

Citation Formats

The Materials Project. Materials Data on UC2O9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1706751.
The Materials Project. Materials Data on UC2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1706751
The Materials Project. 2019. "Materials Data on UC2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1706751. https://www.osti.gov/servlets/purl/1706751. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1706751,
title = {Materials Data on UC2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {UO2CO3CO2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four carbon dioxide molecules, four oxygen molecules, and two UO2CO3 clusters. In each UO2CO3 cluster, U is bonded in a 3-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.82–2.46 Å. C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are five 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 distorted bent 120 degrees geometry to one U and one C atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one U and one C atom.},
doi = {10.17188/1706751},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}