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Title: Materials Data on K3Sn4Au by Materials Project

Abstract

K3AuSn4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to two equivalent Au and four equivalent Sn atoms. Both K–Au bond lengths are 3.58 Å. There are two shorter (3.71 Å) and two longer (3.92 Å) K–Sn bond lengths. In the second K site, K is bonded in a 1-coordinate geometry to one Au and eight Sn atoms. The K–Au bond length is 3.39 Å. There are a spread of K–Sn bond distances ranging from 3.71–3.97 Å. Au is bonded in a 8-coordinate geometry to four K and four Sn atoms. There are two shorter (2.84 Å) and two longer (2.85 Å) Au–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent K and one Au atom. In the second Sn site, Sn is bonded in a 1-coordinate geometry to six K and one Au atom.

Authors:
Publication Date:
Other Number(s):
mp-18500
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; K3Sn4Au; Au-K-Sn
OSTI Identifier:
1193135
DOI:
https://doi.org/10.17188/1193135

Citation Formats

The Materials Project. Materials Data on K3Sn4Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193135.
The Materials Project. Materials Data on K3Sn4Au by Materials Project. United States. doi:https://doi.org/10.17188/1193135
The Materials Project. 2020. "Materials Data on K3Sn4Au by Materials Project". United States. doi:https://doi.org/10.17188/1193135. https://www.osti.gov/servlets/purl/1193135. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1193135,
title = {Materials Data on K3Sn4Au by Materials Project},
author = {The Materials Project},
abstractNote = {K3AuSn4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to two equivalent Au and four equivalent Sn atoms. Both K–Au bond lengths are 3.58 Å. There are two shorter (3.71 Å) and two longer (3.92 Å) K–Sn bond lengths. In the second K site, K is bonded in a 1-coordinate geometry to one Au and eight Sn atoms. The K–Au bond length is 3.39 Å. There are a spread of K–Sn bond distances ranging from 3.71–3.97 Å. Au is bonded in a 8-coordinate geometry to four K and four Sn atoms. There are two shorter (2.84 Å) and two longer (2.85 Å) Au–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent K and one Au atom. In the second Sn site, Sn is bonded in a 1-coordinate geometry to six K and one Au atom.},
doi = {10.17188/1193135},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}