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Title: Materials Data on U3O11 by Materials Project

Abstract

U3O11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO7 pentagonal bipyramid, corners with two equivalent UO6 square pyramids, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one UO6 square pyramid. There are a spread of U–O bond distances ranging from 1.80–2.48 Å. In the second U site, U is bonded to six O atoms to form a mixture of distorted corner and edge-sharing UO6 square pyramids. There are a spread of U–O bond distances ranging from 1.87–2.93 Å. There are six inequivalent O sites. In the first O site, O is bonded in a linear geometry to one U and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a 3-coordinate geometry to three U atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent U atoms. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In themore » 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 single-bond geometry to one U atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1193479
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; U3O11; O-U
OSTI Identifier:
1732974
DOI:
https://doi.org/10.17188/1732974

Citation Formats

The Materials Project. Materials Data on U3O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732974.
The Materials Project. Materials Data on U3O11 by Materials Project. United States. doi:https://doi.org/10.17188/1732974
The Materials Project. 2020. "Materials Data on U3O11 by Materials Project". United States. doi:https://doi.org/10.17188/1732974. https://www.osti.gov/servlets/purl/1732974. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1732974,
title = {Materials Data on U3O11 by Materials Project},
author = {The Materials Project},
abstractNote = {U3O11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO7 pentagonal bipyramid, corners with two equivalent UO6 square pyramids, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one UO6 square pyramid. There are a spread of U–O bond distances ranging from 1.80–2.48 Å. In the second U site, U is bonded to six O atoms to form a mixture of distorted corner and edge-sharing UO6 square pyramids. There are a spread of U–O bond distances ranging from 1.87–2.93 Å. There are six inequivalent O sites. In the first O site, O is bonded in a linear geometry to one U and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a 3-coordinate geometry to three U atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent U atoms. In the fourth O site, O is bonded in a single-bond geometry to one U 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 single-bond geometry to one U atom.},
doi = {10.17188/1732974},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}