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Title: Materials Data on K(FeS)2 by Materials Project

Abstract

KFe2S2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to eight equivalent S atoms. All K–S bond lengths are 3.31 Å. Fe is bonded to four equivalent S atoms to form a mixture of edge and corner-sharing FeS4 tetrahedra. All Fe–S bond lengths are 2.19 Å. S is bonded in a 8-coordinate geometry to four equivalent K and four equivalent Fe atoms.

Publication Date:
Other Number(s):
mp-1070151
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; K(FeS)2; Fe-K-S
OSTI Identifier:
1651993
DOI:
https://doi.org/10.17188/1651993

Citation Formats

The Materials Project. Materials Data on K(FeS)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651993.
The Materials Project. Materials Data on K(FeS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1651993
The Materials Project. 2020. "Materials Data on K(FeS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1651993. https://www.osti.gov/servlets/purl/1651993. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1651993,
title = {Materials Data on K(FeS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KFe2S2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to eight equivalent S atoms. All K–S bond lengths are 3.31 Å. Fe is bonded to four equivalent S atoms to form a mixture of edge and corner-sharing FeS4 tetrahedra. All Fe–S bond lengths are 2.19 Å. S is bonded in a 8-coordinate geometry to four equivalent K and four equivalent Fe atoms.},
doi = {10.17188/1651993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}