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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1179327
- 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; 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 = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}