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Title: Materials Data on USNO9 by Materials Project

Abstract

UNSO9 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two UNSO9 clusters. U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.81–2.60 Å. N is bonded in a single-bond geometry to one S atom. The N–S bond length is 1.65 Å. S is bonded in a tetrahedral geometry to one N and three O atoms. There is two shorter (1.45 Å) and one longer (1.51 Å) S–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.25 Å) and one longer (1.34 Å) O–O bond length. In the third O site, O is bonded in a bent 120 degrees geometry to one U and one O atom. 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 O atom. In the sixth O site, Omore » is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a water-like geometry to two equivalent U atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom.« less

Publication Date:
Other Number(s):
mp-1179327
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; USNO9; N-O-S-U
OSTI Identifier:
1699373
DOI:
https://doi.org/10.17188/1699373

Citation Formats

The Materials Project. Materials Data on USNO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699373.
The Materials Project. Materials Data on USNO9 by Materials Project. United States. doi:https://doi.org/10.17188/1699373
The Materials Project. 2020. "Materials Data on USNO9 by Materials Project". United States. doi:https://doi.org/10.17188/1699373. https://www.osti.gov/servlets/purl/1699373. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1699373,
title = {Materials Data on USNO9 by Materials Project},
author = {The Materials Project},
abstractNote = {UNSO9 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two UNSO9 clusters. U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.81–2.60 Å. N is bonded in a single-bond geometry to one S atom. The N–S bond length is 1.65 Å. S is bonded in a tetrahedral geometry to one N and three O atoms. There is two shorter (1.45 Å) and one longer (1.51 Å) S–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.25 Å) and one longer (1.34 Å) O–O bond length. In the third O site, O is bonded in a bent 120 degrees geometry to one U and one O atom. 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 O atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a water-like geometry to two equivalent U atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom.},
doi = {10.17188/1699373},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}