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Title: Materials Data on K4MnBr6 by Materials Project

Abstract

K4MnBr6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All K–Br bond lengths are 3.26 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of K–Br bond distances ranging from 3.40–3.58 Å. Mn2+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Mn–Br bond lengths are 2.73 Å. Br1- is bonded to five K1+ and one Mn2+ atom to form a mixture of distorted corner, edge, and face-sharing BrK5Mn octahedra. The corner-sharing octahedra tilt angles range from 0–64°.

Publication Date:
Other Number(s):
mp-29637
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; K4MnBr6; Br-K-Mn
OSTI Identifier:
1204124
DOI:
10.17188/1204124

Citation Formats

The Materials Project. Materials Data on K4MnBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204124.
The Materials Project. Materials Data on K4MnBr6 by Materials Project. United States. doi:10.17188/1204124.
The Materials Project. 2020. "Materials Data on K4MnBr6 by Materials Project". United States. doi:10.17188/1204124. https://www.osti.gov/servlets/purl/1204124. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1204124,
title = {Materials Data on K4MnBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {K4MnBr6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All K–Br bond lengths are 3.26 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of K–Br bond distances ranging from 3.40–3.58 Å. Mn2+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Mn–Br bond lengths are 2.73 Å. Br1- is bonded to five K1+ and one Mn2+ atom to form a mixture of distorted corner, edge, and face-sharing BrK5Mn octahedra. The corner-sharing octahedra tilt angles range from 0–64°.},
doi = {10.17188/1204124},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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