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Title: Materials Data on Cs3AuF6 by Materials Project

Abstract

Cs3AuF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (2.81 Å) and two longer (3.15 Å) Cs–F bond lengths. 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 2.83–3.32 Å. In the third Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 2.88–3.21 Å. Au3+ is bonded in a distorted square co-planar geometry to six F1- atoms. There are four shorter (1.99 Å) and two longer (2.79 Å) Au–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three Cs1+ and one Au3+ atom. In the second F1- site, F1- is bonded to three Cs1+ and one Au3+ atom to form corner-sharing FCs3Au trigonal pyramids. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two Cs1+ and one Au3+ atom.

Publication Date:
Other Number(s):
mp-1206693
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; Cs3AuF6; Au-Cs-F
OSTI Identifier:
1722434
DOI:
https://doi.org/10.17188/1722434

Citation Formats

The Materials Project. Materials Data on Cs3AuF6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1722434.
The Materials Project. Materials Data on Cs3AuF6 by Materials Project. United States. doi:https://doi.org/10.17188/1722434
The Materials Project. 2019. "Materials Data on Cs3AuF6 by Materials Project". United States. doi:https://doi.org/10.17188/1722434. https://www.osti.gov/servlets/purl/1722434. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1722434,
title = {Materials Data on Cs3AuF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3AuF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (2.81 Å) and two longer (3.15 Å) Cs–F bond lengths. 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 2.83–3.32 Å. In the third Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 2.88–3.21 Å. Au3+ is bonded in a distorted square co-planar geometry to six F1- atoms. There are four shorter (1.99 Å) and two longer (2.79 Å) Au–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three Cs1+ and one Au3+ atom. In the second F1- site, F1- is bonded to three Cs1+ and one Au3+ atom to form corner-sharing FCs3Au trigonal pyramids. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two Cs1+ and one Au3+ atom.},
doi = {10.17188/1722434},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}