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Title: Materials Data on K(Sn3Au2)2 by Materials Project

Abstract

K(Au2Sn3)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to eight Au and six Sn atoms. There are four shorter (3.68 Å) and four longer (3.73 Å) K–Au bond lengths. There are four shorter (3.62 Å) and two longer (3.64 Å) K–Sn bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to two equivalent K, one Au, and six Sn atoms. The Au–Au bond length is 2.96 Å. There are two shorter (2.84 Å) and four longer (2.93 Å) Au–Sn bond lengths. In the second Au site, Au is bonded in a 9-coordinate geometry to two equivalent K, one Au, and six Sn atoms. There are a spread of Au–Sn bond distances ranging from 2.85–2.91 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to one K and four Au atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to one K, four Au, and one Sn atom. The Sn–Sn bond length is 2.99 Å.

Authors:
Publication Date:
Other Number(s):
mp-570068
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K(Sn3Au2)2; Au-K-Sn
OSTI Identifier:
1275452
DOI:
https://doi.org/10.17188/1275452

Citation Formats

The Materials Project. Materials Data on K(Sn3Au2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275452.
The Materials Project. Materials Data on K(Sn3Au2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1275452
The Materials Project. 2020. "Materials Data on K(Sn3Au2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1275452. https://www.osti.gov/servlets/purl/1275452. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1275452,
title = {Materials Data on K(Sn3Au2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K(Au2Sn3)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to eight Au and six Sn atoms. There are four shorter (3.68 Å) and four longer (3.73 Å) K–Au bond lengths. There are four shorter (3.62 Å) and two longer (3.64 Å) K–Sn bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to two equivalent K, one Au, and six Sn atoms. The Au–Au bond length is 2.96 Å. There are two shorter (2.84 Å) and four longer (2.93 Å) Au–Sn bond lengths. In the second Au site, Au is bonded in a 9-coordinate geometry to two equivalent K, one Au, and six Sn atoms. There are a spread of Au–Sn bond distances ranging from 2.85–2.91 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to one K and four Au atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to one K, four Au, and one Sn atom. The Sn–Sn bond length is 2.99 Å.},
doi = {10.17188/1275452},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}