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Title: Materials Data on KMnF3 by Materials Project

Abstract

KMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded to twelve F1- atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with eight equivalent MnF6 octahedra. There are a spread of K–F bond distances ranging from 2.76–3.27 Å. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with six equivalent MnF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 13–14°. All Mn–F bond lengths are 2.14 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Mn2+ atoms.

Publication Date:
Other Number(s):
mp-558046
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; KMnF3; F-K-Mn
OSTI Identifier:
1270132
DOI:
https://doi.org/10.17188/1270132

Citation Formats

The Materials Project. Materials Data on KMnF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270132.
The Materials Project. Materials Data on KMnF3 by Materials Project. United States. doi:https://doi.org/10.17188/1270132
The Materials Project. 2020. "Materials Data on KMnF3 by Materials Project". United States. doi:https://doi.org/10.17188/1270132. https://www.osti.gov/servlets/purl/1270132. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1270132,
title = {Materials Data on KMnF3 by Materials Project},
author = {The Materials Project},
abstractNote = {KMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded to twelve F1- atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with eight equivalent MnF6 octahedra. There are a spread of K–F bond distances ranging from 2.76–3.27 Å. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with six equivalent MnF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 13–14°. All Mn–F bond lengths are 2.14 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1270132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}