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Title: Materials Data on UN2O7 by Materials Project

Abstract

UN2O7 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two UN2O7 sheets oriented in the (0, 1, 0) direction. U6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.79–2.45 Å. N4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.90 Å) and two longer (3.17 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ and one O2- atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one N4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+, one N4+, and one O2- atom.

Authors:
Publication Date:
Other Number(s):
mp-1202133
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; UN2O7; N-O-U
OSTI Identifier:
1675691
DOI:
https://doi.org/10.17188/1675691

Citation Formats

The Materials Project. Materials Data on UN2O7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1675691.
The Materials Project. Materials Data on UN2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1675691
The Materials Project. 2019. "Materials Data on UN2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1675691. https://www.osti.gov/servlets/purl/1675691. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1675691,
title = {Materials Data on UN2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {UN2O7 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two UN2O7 sheets oriented in the (0, 1, 0) direction. U6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.79–2.45 Å. N4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.90 Å) and two longer (3.17 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ and one O2- atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one N4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+, one N4+, and one O2- atom.},
doi = {10.17188/1675691},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}