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Title: Materials Data on K6Si2S6O by Materials Project

Abstract

K6Si2S6O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.13–3.65 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.25–3.90 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.22–3.64 Å. Si4+ is bonded to three S2- and one O2- atom to form distorted corner-sharing SiS3O tetrahedra. There are two shorter (2.13 Å) and one longer (2.14 Å) Si–S bond lengths. The Si–O bond length is 1.65 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to seven K1+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and onemore » Si4+ atom. O2- is bonded in a linear geometry to two equivalent Si4+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-555596
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; K6Si2S6O; K-O-S-Si
OSTI Identifier:
1268897
DOI:
10.17188/1268897

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K6Si2S6O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268897.
Persson, Kristin, & Project, Materials. Materials Data on K6Si2S6O by Materials Project. United States. doi:10.17188/1268897.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K6Si2S6O by Materials Project". United States. doi:10.17188/1268897. https://www.osti.gov/servlets/purl/1268897. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1268897,
title = {Materials Data on K6Si2S6O by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K6Si2S6O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.13–3.65 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.25–3.90 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.22–3.64 Å. Si4+ is bonded to three S2- and one O2- atom to form distorted corner-sharing SiS3O tetrahedra. There are two shorter (2.13 Å) and one longer (2.14 Å) Si–S bond lengths. The Si–O bond length is 1.65 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to seven K1+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one Si4+ atom. O2- is bonded in a linear geometry to two equivalent Si4+ atoms.},
doi = {10.17188/1268897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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