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Title: Materials Data on Cs2ScAuF6 by Materials Project

Abstract

Cs2ScAuF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent ScF6 octahedra, and faces with four equivalent AuF6 octahedra. All Cs–F bond lengths are 3.26 Å. Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent AuF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.04 Å. Au1+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent ScF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–F bond lengths are 2.55 Å. F1- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Sc3+, and one Au1+ atom.

Publication Date:
Other Number(s):
mp-1112595
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; Cs2ScAuF6; Au-Cs-F-Sc
OSTI Identifier:
1723249
DOI:
https://doi.org/10.17188/1723249

Citation Formats

The Materials Project. Materials Data on Cs2ScAuF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1723249.
The Materials Project. Materials Data on Cs2ScAuF6 by Materials Project. United States. doi:https://doi.org/10.17188/1723249
The Materials Project. 2020. "Materials Data on Cs2ScAuF6 by Materials Project". United States. doi:https://doi.org/10.17188/1723249. https://www.osti.gov/servlets/purl/1723249. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1723249,
title = {Materials Data on Cs2ScAuF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2ScAuF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent ScF6 octahedra, and faces with four equivalent AuF6 octahedra. All Cs–F bond lengths are 3.26 Å. Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent AuF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.04 Å. Au1+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent ScF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–F bond lengths are 2.55 Å. F1- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Sc3+, and one Au1+ atom.},
doi = {10.17188/1723249},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}