skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on KMnCl3 by Materials Project

Abstract

KMnCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.22–3.40 Å. Mn2+ is bonded to six Cl1- atoms to form edge-sharing MnCl6 octahedra. There are a spread of Mn–Cl bond distances ranging from 2.42–2.63 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three equivalent Mn2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Mn2+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Mn2+ atom.

Publication Date:
Other Number(s):
mp-567530
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; KMnCl3; Cl-K-Mn
OSTI Identifier:
1273916
DOI:
https://doi.org/10.17188/1273916

Citation Formats

The Materials Project. Materials Data on KMnCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273916.
The Materials Project. Materials Data on KMnCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1273916
The Materials Project. 2020. "Materials Data on KMnCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1273916. https://www.osti.gov/servlets/purl/1273916. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1273916,
title = {Materials Data on KMnCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {KMnCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.22–3.40 Å. Mn2+ is bonded to six Cl1- atoms to form edge-sharing MnCl6 octahedra. There are a spread of Mn–Cl bond distances ranging from 2.42–2.63 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three equivalent Mn2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Mn2+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Mn2+ atom.},
doi = {10.17188/1273916},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}