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Title: Materials Data on KMnBr3 by Materials Project

Abstract

KMnBr3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.42–3.67 Å. Mn2+ is bonded to six Br1- atoms to form edge-sharing MnBr6 octahedra. There are a spread of Mn–Br bond distances ranging from 2.58–2.78 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Mn2+ atom. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Mn2+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to one K1+ and three equivalent Mn2+ atoms.

Publication Date:
Other Number(s):
mp-29636
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; KMnBr3; Br-K-Mn
OSTI Identifier:
1204123
DOI:
10.17188/1204123

Citation Formats

The Materials Project. Materials Data on KMnBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204123.
The Materials Project. Materials Data on KMnBr3 by Materials Project. United States. doi:10.17188/1204123.
The Materials Project. 2020. "Materials Data on KMnBr3 by Materials Project". United States. doi:10.17188/1204123. https://www.osti.gov/servlets/purl/1204123. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1204123,
title = {Materials Data on KMnBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {KMnBr3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.42–3.67 Å. Mn2+ is bonded to six Br1- atoms to form edge-sharing MnBr6 octahedra. There are a spread of Mn–Br bond distances ranging from 2.58–2.78 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Mn2+ atom. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Mn2+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to one K1+ and three equivalent Mn2+ atoms.},
doi = {10.17188/1204123},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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