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Title: Materials Data on KFeAs2 by Materials Project

Abstract

KFeAs2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent As2- atoms. All K–As bond lengths are 3.54 Å. Fe3+ is bonded to four equivalent As2- atoms to form distorted corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.23 Å. As2- is bonded in a distorted bent 120 degrees geometry to four equivalent K1+ and two equivalent Fe3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1223459
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KFeAs2; As-Fe-K
OSTI Identifier:
1713484
DOI:
https://doi.org/10.17188/1713484

Citation Formats

The Materials Project. Materials Data on KFeAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1713484.
The Materials Project. Materials Data on KFeAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1713484
The Materials Project. 2020. "Materials Data on KFeAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1713484. https://www.osti.gov/servlets/purl/1713484. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1713484,
title = {Materials Data on KFeAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {KFeAs2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent As2- atoms. All K–As bond lengths are 3.54 Å. Fe3+ is bonded to four equivalent As2- atoms to form distorted corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.23 Å. As2- is bonded in a distorted bent 120 degrees geometry to four equivalent K1+ and two equivalent Fe3+ atoms.},
doi = {10.17188/1713484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}