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Title: Materials Data on CsAu2F7 by Materials Project

Abstract

CsAu2F7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 3.13–3.41 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.94–2.04 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Au3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Au3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Au3+ atom. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Au3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554737
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; CsAu2F7; Au-Cs-F
OSTI Identifier:
1268071
DOI:
10.17188/1268071

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CsAu2F7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268071.
Persson, Kristin, & Project, Materials. Materials Data on CsAu2F7 by Materials Project. United States. doi:10.17188/1268071.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CsAu2F7 by Materials Project". United States. doi:10.17188/1268071. https://www.osti.gov/servlets/purl/1268071. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1268071,
title = {Materials Data on CsAu2F7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CsAu2F7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 3.13–3.41 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.94–2.04 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Au3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Au3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Au3+ atom. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Au3+ atoms.},
doi = {10.17188/1268071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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