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Title: Materials Data on KMnCl3 by Materials Project

Abstract

KMnCl3 is Orthorhombic Perovskite structured and 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 3.19–3.43 Å. Mn2+ is bonded to six Cl1- atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedra tilt angles range from 19–24°. There are four shorter (2.56 Å) and two longer (2.57 Å) Mn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Mn2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Mn2+ atoms.

Publication Date:
Other Number(s):
mp-23049
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:
1199193
DOI:
10.17188/1199193

Citation Formats

The Materials Project. Materials Data on KMnCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199193.
The Materials Project. Materials Data on KMnCl3 by Materials Project. United States. doi:10.17188/1199193.
The Materials Project. 2020. "Materials Data on KMnCl3 by Materials Project". United States. doi:10.17188/1199193. https://www.osti.gov/servlets/purl/1199193. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1199193,
title = {Materials Data on KMnCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {KMnCl3 is Orthorhombic Perovskite structured and 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 3.19–3.43 Å. Mn2+ is bonded to six Cl1- atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedra tilt angles range from 19–24°. There are four shorter (2.56 Å) and two longer (2.57 Å) Mn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Mn2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1199193},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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