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Title: Materials Data on KFeF3 by Materials Project

Abstract

KFeF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with eight equivalent FeF6 octahedra. All K–F bond lengths are 2.95 Å. Fe2+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent FeF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 2.08 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Fe2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556891
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; KFeF3; F-Fe-K
OSTI Identifier:
1269599
DOI:
10.17188/1269599

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KFeF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269599.
Persson, Kristin, & Project, Materials. Materials Data on KFeF3 by Materials Project. United States. doi:10.17188/1269599.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KFeF3 by Materials Project". United States. doi:10.17188/1269599. https://www.osti.gov/servlets/purl/1269599. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269599,
title = {Materials Data on KFeF3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KFeF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with eight equivalent FeF6 octahedra. All K–F bond lengths are 2.95 Å. Fe2+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent FeF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 2.08 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Fe2+ atoms.},
doi = {10.17188/1269599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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