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Title: Materials Data on CsAuF4 by Materials Project

Abstract

CsAuF4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 2.98–3.55 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four F1- atoms. All Au–F bond lengths are 1.97 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Au–F bond lengths are 1.97 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Au3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Au3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and one Au3+ atom.

Publication Date:
Other Number(s):
mp-572767
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; CsAuF4; Au-Cs-F
OSTI Identifier:
1276432
DOI:
10.17188/1276432

Citation Formats

The Materials Project. Materials Data on CsAuF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276432.
The Materials Project. Materials Data on CsAuF4 by Materials Project. United States. doi:10.17188/1276432.
The Materials Project. 2020. "Materials Data on CsAuF4 by Materials Project". United States. doi:10.17188/1276432. https://www.osti.gov/servlets/purl/1276432. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1276432,
title = {Materials Data on CsAuF4 by Materials Project},
author = {The Materials Project},
abstractNote = {CsAuF4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 2.98–3.55 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four F1- atoms. All Au–F bond lengths are 1.97 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Au–F bond lengths are 1.97 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Au3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Au3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and one Au3+ atom.},
doi = {10.17188/1276432},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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