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Title: Materials Data on K2S5 by Materials Project

Abstract

K2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.23–3.58 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.23–3.68 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one S+0.40- atom. The S–S bond length is 2.02 Å. In the second S+0.40- site, S+0.40- is bonded in a distorted trigonal non-coplanar geometry to three S+0.40- atoms. There are one shorter (2.03 Å) and one longer (2.42 Å) S–S bond lengths. In the third S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to four K1+ and one S+0.40- atom. The S–S bond length is 2.02 Å. In the fourth S+0.40- site, S+0.40- is bonded to five K1+ and one S+0.40- atom to form a mixture of distorted edge and corner-sharing SK5S octahedra. The corner-sharing octahedra tilt angles range from 2–45°.more » In the fifth S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three K1+ and two S+0.40- atoms.« less

Publication Date:
Other Number(s):
mp-672372
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; K2S5; K-S
OSTI Identifier:
1281867
DOI:
10.17188/1281867

Citation Formats

The Materials Project. Materials Data on K2S5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281867.
The Materials Project. Materials Data on K2S5 by Materials Project. United States. doi:10.17188/1281867.
The Materials Project. 2020. "Materials Data on K2S5 by Materials Project". United States. doi:10.17188/1281867. https://www.osti.gov/servlets/purl/1281867. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281867,
title = {Materials Data on K2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.23–3.58 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.23–3.68 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one S+0.40- atom. The S–S bond length is 2.02 Å. In the second S+0.40- site, S+0.40- is bonded in a distorted trigonal non-coplanar geometry to three S+0.40- atoms. There are one shorter (2.03 Å) and one longer (2.42 Å) S–S bond lengths. In the third S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to four K1+ and one S+0.40- atom. The S–S bond length is 2.02 Å. In the fourth S+0.40- site, S+0.40- is bonded to five K1+ and one S+0.40- atom to form a mixture of distorted edge and corner-sharing SK5S octahedra. The corner-sharing octahedra tilt angles range from 2–45°. In the fifth S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three K1+ and two S+0.40- atoms.},
doi = {10.17188/1281867},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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