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Title: Materials Data on CsU2F9 by Materials Project

Abstract

CsU2F9 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 2.99–3.13 Å. There are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.23–2.45 Å. In the second U4+ site, U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.10–2.47 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Cs1+ and two U4+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Cs1+ and two U4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cs1+ and two U4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cs1+ and two U4+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Cs1+ and twomore » U4+ atoms. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to one Cs1+ and two U4+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the ninth F1- site, F1- is bonded in a single-bond geometry to one U4+ atom.« less

Publication Date:
Other Number(s):
mp-1225971
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; CsU2F9; Cs-F-U
OSTI Identifier:
1665691
DOI:
https://doi.org/10.17188/1665691

Citation Formats

The Materials Project. Materials Data on CsU2F9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1665691.
The Materials Project. Materials Data on CsU2F9 by Materials Project. United States. doi:https://doi.org/10.17188/1665691
The Materials Project. 2020. "Materials Data on CsU2F9 by Materials Project". United States. doi:https://doi.org/10.17188/1665691. https://www.osti.gov/servlets/purl/1665691. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1665691,
title = {Materials Data on CsU2F9 by Materials Project},
author = {The Materials Project},
abstractNote = {CsU2F9 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 2.99–3.13 Å. There are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.23–2.45 Å. In the second U4+ site, U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.10–2.47 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Cs1+ and two U4+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Cs1+ and two U4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cs1+ and two U4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cs1+ and two U4+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Cs1+ and two U4+ atoms. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to one Cs1+ and two U4+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the ninth F1- site, F1- is bonded in a single-bond geometry to one U4+ atom.},
doi = {10.17188/1665691},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}