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Title: Materials Data on K4Sn9 by Materials Project

Abstract

K4Sn9 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of K–Sn bond distances ranging from 3.66–4.02 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of K–Sn bond distances ranging from 3.51–4.07 Å. In the third K site, K is bonded in a 8-coordinate geometry to nine Sn atoms. There are a spread of K–Sn bond distances ranging from 3.59–4.12 Å. In the fourth K site, K is bonded in a 3-coordinate geometry to eight Sn atoms. There are a spread of K–Sn bond distances ranging from 3.61–4.12 Å. There are nine inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to three K and five Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.03–3.29 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four K and four Sn atoms. There are a spread of Sn–Sn bond distances rangingmore » from 3.01–3.06 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to three K and five Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.99–3.21 Å. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to three K and five Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.98–3.38 Å. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four K and four Sn atoms. There are one shorter (2.99 Å) and one longer (3.04 Å) Sn–Sn bond lengths. In the sixth Sn site, Sn is bonded in a 1-coordinate geometry to four K and four Sn atoms. The Sn–Sn bond length is 3.01 Å. In the seventh Sn site, Sn is bonded in a 8-coordinate geometry to four K and four Sn atoms. There are one shorter (2.98 Å) and one longer (3.04 Å) Sn–Sn bond lengths. In the eighth Sn site, Sn is bonded in a 6-coordinate geometry to two K and four Sn atoms. In the ninth Sn site, Sn is bonded in a 9-coordinate geometry to four K and five Sn atoms.« less

Publication Date:
Other Number(s):
mp-570900
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; K4Sn9; K-Sn
OSTI Identifier:
1275993
DOI:
https://doi.org/10.17188/1275993

Citation Formats

The Materials Project. Materials Data on K4Sn9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275993.
The Materials Project. Materials Data on K4Sn9 by Materials Project. United States. doi:https://doi.org/10.17188/1275993
The Materials Project. 2020. "Materials Data on K4Sn9 by Materials Project". United States. doi:https://doi.org/10.17188/1275993. https://www.osti.gov/servlets/purl/1275993. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1275993,
title = {Materials Data on K4Sn9 by Materials Project},
author = {The Materials Project},
abstractNote = {K4Sn9 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of K–Sn bond distances ranging from 3.66–4.02 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of K–Sn bond distances ranging from 3.51–4.07 Å. In the third K site, K is bonded in a 8-coordinate geometry to nine Sn atoms. There are a spread of K–Sn bond distances ranging from 3.59–4.12 Å. In the fourth K site, K is bonded in a 3-coordinate geometry to eight Sn atoms. There are a spread of K–Sn bond distances ranging from 3.61–4.12 Å. There are nine inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to three K and five Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.03–3.29 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four K and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.01–3.06 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to three K and five Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.99–3.21 Å. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to three K and five Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.98–3.38 Å. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four K and four Sn atoms. There are one shorter (2.99 Å) and one longer (3.04 Å) Sn–Sn bond lengths. In the sixth Sn site, Sn is bonded in a 1-coordinate geometry to four K and four Sn atoms. The Sn–Sn bond length is 3.01 Å. In the seventh Sn site, Sn is bonded in a 8-coordinate geometry to four K and four Sn atoms. There are one shorter (2.98 Å) and one longer (3.04 Å) Sn–Sn bond lengths. In the eighth Sn site, Sn is bonded in a 6-coordinate geometry to two K and four Sn atoms. In the ninth Sn site, Sn is bonded in a 9-coordinate geometry to four K and five Sn atoms.},
doi = {10.17188/1275993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}