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Title: Materials Data on CsU6F25 by Materials Project

Abstract

CsU6F25 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a cuboctahedral geometry to twelve F1- atoms. There are six shorter (3.16 Å) and six longer (3.17 Å) Cs–F bond lengths. U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.29–2.50 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent U4+ atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two equivalent U4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent U4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent U4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556690
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; CsU6F25; Cs-F-U
OSTI Identifier:
1269483
DOI:
10.17188/1269483

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CsU6F25 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269483.
Persson, Kristin, & Project, Materials. Materials Data on CsU6F25 by Materials Project. United States. doi:10.17188/1269483.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CsU6F25 by Materials Project". United States. doi:10.17188/1269483. https://www.osti.gov/servlets/purl/1269483. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1269483,
title = {Materials Data on CsU6F25 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CsU6F25 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a cuboctahedral geometry to twelve F1- atoms. There are six shorter (3.16 Å) and six longer (3.17 Å) Cs–F bond lengths. U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.29–2.50 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent U4+ atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two equivalent U4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent U4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent U4+ atoms.},
doi = {10.17188/1269483},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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