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Title: Materials Data on K2Sn2S5 by Materials Project

Abstract

K2Sn2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.16–3.73 Å. Sn4+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.43–2.68 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent K1+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing SK3Sn2 square pyramids. In the second S2- site, S2- is bonded in a distorted bent 120 degrees geometry to four equivalent K1+ and two equivalent Sn4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent K1+ and two equivalent Sn4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-8965
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; K2Sn2S5; K-S-Sn
OSTI Identifier:
1312869
DOI:
https://doi.org/10.17188/1312869

Citation Formats

The Materials Project. Materials Data on K2Sn2S5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312869.
The Materials Project. Materials Data on K2Sn2S5 by Materials Project. United States. doi:https://doi.org/10.17188/1312869
The Materials Project. 2020. "Materials Data on K2Sn2S5 by Materials Project". United States. doi:https://doi.org/10.17188/1312869. https://www.osti.gov/servlets/purl/1312869. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1312869,
title = {Materials Data on K2Sn2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Sn2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.16–3.73 Å. Sn4+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.43–2.68 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent K1+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing SK3Sn2 square pyramids. In the second S2- site, S2- is bonded in a distorted bent 120 degrees geometry to four equivalent K1+ and two equivalent Sn4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent K1+ and two equivalent Sn4+ atoms.},
doi = {10.17188/1312869},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}