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Title: Materials Data on CsUPNO9 by Materials Project

Abstract

CsUPNO9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Cs–O bond distances ranging from 3.22–3.52 Å. U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.81–2.56 Å. P is bonded in a tetrahedral geometry to four O atoms. All P–O bond lengths are 1.55 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Cs, one U, and one P atom. In the second O site, O is bonded in a single-bond geometry to two equivalent Cs and one U atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one U and one P atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Cs, one U, and one P atom. In the fifth O site, O is bonded in amore » distorted single-bond geometry to one Cs, one U, and one N atom. In the sixth O site, O is bonded in a single-bond geometry to one Cs and one U atom. In the seventh O site, O is bonded in a 1-coordinate geometry to one Cs, one U, and one N atom. In the eighth O site, O is bonded in a single-bond geometry to one Cs and one P atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one N atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1194222
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; CsUPNO9; Cs-N-O-P-U
OSTI Identifier:
1688199
DOI:
https://doi.org/10.17188/1688199

Citation Formats

The Materials Project. Materials Data on CsUPNO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688199.
The Materials Project. Materials Data on CsUPNO9 by Materials Project. United States. doi:https://doi.org/10.17188/1688199
The Materials Project. 2020. "Materials Data on CsUPNO9 by Materials Project". United States. doi:https://doi.org/10.17188/1688199. https://www.osti.gov/servlets/purl/1688199. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1688199,
title = {Materials Data on CsUPNO9 by Materials Project},
author = {The Materials Project},
abstractNote = {CsUPNO9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Cs–O bond distances ranging from 3.22–3.52 Å. U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.81–2.56 Å. P is bonded in a tetrahedral geometry to four O atoms. All P–O bond lengths are 1.55 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Cs, one U, and one P atom. In the second O site, O is bonded in a single-bond geometry to two equivalent Cs and one U atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one U and one P atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Cs, one U, and one P atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Cs, one U, and one N atom. In the sixth O site, O is bonded in a single-bond geometry to one Cs and one U atom. In the seventh O site, O is bonded in a 1-coordinate geometry to one Cs, one U, and one N atom. In the eighth O site, O is bonded in a single-bond geometry to one Cs and one P atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one N atom.},
doi = {10.17188/1688199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}