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Title: Materials Data on Cs2UF7 by Materials Project

Abstract

Cs2UF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to eight F1- atoms. There are a spread of Cs–F bond distances ranging from 2.65–3.46 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 2.77–3.36 Å. U5+ is bonded in an octahedral geometry to six F1- atoms. There are five shorter (2.09 Å) and one longer (2.11 Å) U–F bond lengths. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Cs1+ and one U5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one U5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three Cs1+ and one U5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one U5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to twomore » equivalent Cs1+ and one U5+ atom. In the sixth F1- site, F1- is bonded in a trigonal planar geometry to three Cs1+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to two Cs1+ and one U5+ atom.« less

Publication Date:
Other Number(s):
mp-1213795
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; Cs2UF7; Cs-F-U
OSTI Identifier:
1752531
DOI:
https://doi.org/10.17188/1752531

Citation Formats

The Materials Project. Materials Data on Cs2UF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752531.
The Materials Project. Materials Data on Cs2UF7 by Materials Project. United States. doi:https://doi.org/10.17188/1752531
The Materials Project. 2020. "Materials Data on Cs2UF7 by Materials Project". United States. doi:https://doi.org/10.17188/1752531. https://www.osti.gov/servlets/purl/1752531. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1752531,
title = {Materials Data on Cs2UF7 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2UF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to eight F1- atoms. There are a spread of Cs–F bond distances ranging from 2.65–3.46 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 2.77–3.36 Å. U5+ is bonded in an octahedral geometry to six F1- atoms. There are five shorter (2.09 Å) and one longer (2.11 Å) U–F bond lengths. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Cs1+ and one U5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one U5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three Cs1+ and one U5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one U5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one U5+ atom. In the sixth F1- site, F1- is bonded in a trigonal planar geometry to three Cs1+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to two Cs1+ and one U5+ atom.},
doi = {10.17188/1752531},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}