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Title: Materials Data on KFeTc2 by Materials Project

Abstract

KTc2Fe crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to ten Tc2- and four equivalent Fe3+ atoms. There are four shorter (2.74 Å) and six longer (3.16 Å) K–Tc bond lengths. All K–Fe bond lengths are 2.74 Å. There are two inequivalent Tc2- sites. In the first Tc2- site, Tc2- is bonded to four equivalent K1+ and four equivalent Tc2- atoms to form distorted edge-sharing TcK4Tc4 tetrahedra. All Tc–Tc bond lengths are 2.74 Å. In the second Tc2- site, Tc2- is bonded in a 4-coordinate geometry to six equivalent K1+, four equivalent Tc2-, and four equivalent Fe3+ atoms. All Tc–Fe bond lengths are 2.74 Å. Fe3+ is bonded in a distorted body-centered cubic geometry to four equivalent K1+ and four equivalent Tc2- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631396
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; KFeTc2; Fe-K-Tc
OSTI Identifier:
1279122
DOI:
10.17188/1279122

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KFeTc2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279122.
Persson, Kristin, & Project, Materials. Materials Data on KFeTc2 by Materials Project. United States. doi:10.17188/1279122.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KFeTc2 by Materials Project". United States. doi:10.17188/1279122. https://www.osti.gov/servlets/purl/1279122. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279122,
title = {Materials Data on KFeTc2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KTc2Fe crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to ten Tc2- and four equivalent Fe3+ atoms. There are four shorter (2.74 Å) and six longer (3.16 Å) K–Tc bond lengths. All K–Fe bond lengths are 2.74 Å. There are two inequivalent Tc2- sites. In the first Tc2- site, Tc2- is bonded to four equivalent K1+ and four equivalent Tc2- atoms to form distorted edge-sharing TcK4Tc4 tetrahedra. All Tc–Tc bond lengths are 2.74 Å. In the second Tc2- site, Tc2- is bonded in a 4-coordinate geometry to six equivalent K1+, four equivalent Tc2-, and four equivalent Fe3+ atoms. All Tc–Fe bond lengths are 2.74 Å. Fe3+ is bonded in a distorted body-centered cubic geometry to four equivalent K1+ and four equivalent Tc2- atoms.},
doi = {10.17188/1279122},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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