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Title: Materials Data on KBaMnO4 by Materials Project

Abstract

KBaMnO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.81–3.28 Å. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.18 Å. Mn is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.72 Å) and one longer (1.73 Å) Mn–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent K, two equivalent Ba, and one Mn atom. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent K, two equivalent Ba, and one Mn atom. In the third O site, O is bonded in a distorted single-bond geometry to one K, three equivalent Ba, and one Mn atom.

Authors:
Publication Date:
Other Number(s):
mp-1192441
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; KBaMnO4; Ba-K-Mn-O
OSTI Identifier:
1684193
DOI:
https://doi.org/10.17188/1684193

Citation Formats

The Materials Project. Materials Data on KBaMnO4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684193.
The Materials Project. Materials Data on KBaMnO4 by Materials Project. United States. doi:https://doi.org/10.17188/1684193
The Materials Project. 2019. "Materials Data on KBaMnO4 by Materials Project". United States. doi:https://doi.org/10.17188/1684193. https://www.osti.gov/servlets/purl/1684193. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1684193,
title = {Materials Data on KBaMnO4 by Materials Project},
author = {The Materials Project},
abstractNote = {KBaMnO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.81–3.28 Å. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.18 Å. Mn is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.72 Å) and one longer (1.73 Å) Mn–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent K, two equivalent Ba, and one Mn atom. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent K, two equivalent Ba, and one Mn atom. In the third O site, O is bonded in a distorted single-bond geometry to one K, three equivalent Ba, and one Mn atom.},
doi = {10.17188/1684193},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}