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Title: Materials Data on KTiS2 by Materials Project

Abstract

KTiS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All K–S bond lengths are 3.10 Å. Ti3+ is bonded to six equivalent S2- atoms to form edge-sharing TiS6 octahedra. All Ti–S bond lengths are 2.52 Å. S2- is bonded to three equivalent K1+ and three equivalent Ti3+ atoms to form a mixture of distorted corner and edge-sharing SK3Ti3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1350132
Report Number(s):
mp-1018051
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; KTiS2; K-S-Ti

Citation Formats

The Materials Project. Materials Data on KTiS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350132.
The Materials Project. Materials Data on KTiS2 by Materials Project. United States. https://doi.org/10.17188/1350132
The Materials Project. 2020. "Materials Data on KTiS2 by Materials Project". United States. https://doi.org/10.17188/1350132. https://www.osti.gov/servlets/purl/1350132.
@article{osti_1350132,
title = {Materials Data on KTiS2 by Materials Project},
author = {The Materials Project},
abstractNote = {KTiS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All K–S bond lengths are 3.10 Å. Ti3+ is bonded to six equivalent S2- atoms to form edge-sharing TiS6 octahedra. All Ti–S bond lengths are 2.52 Å. S2- is bonded to three equivalent K1+ and three equivalent Ti3+ atoms to form a mixture of distorted corner and edge-sharing SK3Ti3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1350132},
url = {https://www.osti.gov/biblio/1350132}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}