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Title: Materials Data on U2O5F8 by Materials Project

Abstract

(UOF4)4(O2)3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four trioxidane molecules and two UOF4 ribbons oriented in the (0, 0, 1) direction. In each UOF4 ribbon, there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to two equivalent O and three F atoms. Both U–O bond lengths are 1.79 Å. There are a spread of U–F bond distances ranging from 2.08–2.35 Å. In the second U site, U is bonded in a distorted pentagonal bipyramidal geometry to seven F atoms. There are a spread of U–F bond distances ranging from 2.01–2.31 Å. O is bonded in a single-bond geometry to one U atom. There are six inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two U atoms. In the second F site, F is bonded in a bent 150 degrees geometry to two U atoms. In the third F site, F is bonded in a single-bond geometry to one U atom. In the fourth F site, F is bonded in a single-bond geometry to one U atom. In the fifth F site, F ismore » bonded in a single-bond geometry to one U atom. In the sixth F site, F is bonded in a single-bond geometry to one U atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1179411
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; U2O5F8; F-O-U
OSTI Identifier:
1680333
DOI:
https://doi.org/10.17188/1680333

Citation Formats

The Materials Project. Materials Data on U2O5F8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680333.
The Materials Project. Materials Data on U2O5F8 by Materials Project. United States. doi:https://doi.org/10.17188/1680333
The Materials Project. 2020. "Materials Data on U2O5F8 by Materials Project". United States. doi:https://doi.org/10.17188/1680333. https://www.osti.gov/servlets/purl/1680333. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1680333,
title = {Materials Data on U2O5F8 by Materials Project},
author = {The Materials Project},
abstractNote = {(UOF4)4(O2)3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four trioxidane molecules and two UOF4 ribbons oriented in the (0, 0, 1) direction. In each UOF4 ribbon, there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to two equivalent O and three F atoms. Both U–O bond lengths are 1.79 Å. There are a spread of U–F bond distances ranging from 2.08–2.35 Å. In the second U site, U is bonded in a distorted pentagonal bipyramidal geometry to seven F atoms. There are a spread of U–F bond distances ranging from 2.01–2.31 Å. O is bonded in a single-bond geometry to one U atom. There are six inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two U atoms. In the second F site, F is bonded in a bent 150 degrees geometry to two U atoms. In the third F site, F is bonded in a single-bond geometry to one U atom. In the fourth F site, F is bonded in a single-bond geometry to one U atom. In the fifth F site, F is bonded in a single-bond geometry to one U atom. In the sixth F site, F is bonded in a single-bond geometry to one U atom.},
doi = {10.17188/1680333},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}