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Title: Materials Data on KZrS2 by Materials Project

Abstract

KZrS2 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 3.11 Å. Zr3+ is bonded to six equivalent S2- atoms to form edge-sharing ZrS6 octahedra. All Zr–S bond lengths are 2.64 Å. S2- is bonded to three equivalent K1+ and three equivalent Zr3+ atoms to form a mixture of edge and corner-sharing SK3Zr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1002123
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; KZrS2; K-S-Zr
OSTI Identifier:
1274588
DOI:
10.17188/1274588

Citation Formats

The Materials Project. Materials Data on KZrS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274588.
The Materials Project. Materials Data on KZrS2 by Materials Project. United States. doi:10.17188/1274588.
The Materials Project. 2020. "Materials Data on KZrS2 by Materials Project". United States. doi:10.17188/1274588. https://www.osti.gov/servlets/purl/1274588. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274588,
title = {Materials Data on KZrS2 by Materials Project},
author = {The Materials Project},
abstractNote = {KZrS2 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 3.11 Å. Zr3+ is bonded to six equivalent S2- atoms to form edge-sharing ZrS6 octahedra. All Zr–S bond lengths are 2.64 Å. S2- is bonded to three equivalent K1+ and three equivalent Zr3+ atoms to form a mixture of edge and corner-sharing SK3Zr3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1274588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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