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Title: Materials Data on KMnO4 by Materials Project

Abstract

KMnO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.30 Å. Mn7+ is bonded in a tetrahedral geometry to four O2- atoms. All Mn–O bond lengths are 1.62 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one Mn7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Mn7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent K1+ and one Mn7+ atom.

Authors:
Publication Date:
Other Number(s):
mp-704731
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; KMnO4; K-Mn-O
OSTI Identifier:
1285765
DOI:
https://doi.org/10.17188/1285765

Citation Formats

The Materials Project. Materials Data on KMnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285765.
The Materials Project. Materials Data on KMnO4 by Materials Project. United States. doi:https://doi.org/10.17188/1285765
The Materials Project. 2020. "Materials Data on KMnO4 by Materials Project". United States. doi:https://doi.org/10.17188/1285765. https://www.osti.gov/servlets/purl/1285765. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1285765,
title = {Materials Data on KMnO4 by Materials Project},
author = {The Materials Project},
abstractNote = {KMnO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.30 Å. Mn7+ is bonded in a tetrahedral geometry to four O2- atoms. All Mn–O bond lengths are 1.62 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one Mn7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Mn7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent K1+ and one Mn7+ atom.},
doi = {10.17188/1285765},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}