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Title: Materials Data on K2MnN4 by Materials Project

Abstract

K2MnN4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.79–3.31 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven N1- atoms. There are a spread of K–N bond distances ranging from 2.78–3.09 Å. Mn2+ is bonded in a tetrahedral geometry to four N1- atoms. There is two shorter (1.67 Å) and two longer (1.69 Å) Mn–N bond length. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom. In the second N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom. In the third N1- site, N1- is bonded in a distorted single-bond geometry to three K1+ and one Mn2+ atom. In the fourth N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom.

Publication Date:
Other Number(s):
mp-1194125
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; K2MnN4; K-Mn-N
OSTI Identifier:
1746691
DOI:
https://doi.org/10.17188/1746691

Citation Formats

The Materials Project. Materials Data on K2MnN4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746691.
The Materials Project. Materials Data on K2MnN4 by Materials Project. United States. doi:https://doi.org/10.17188/1746691
The Materials Project. 2020. "Materials Data on K2MnN4 by Materials Project". United States. doi:https://doi.org/10.17188/1746691. https://www.osti.gov/servlets/purl/1746691. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746691,
title = {Materials Data on K2MnN4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2MnN4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.79–3.31 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven N1- atoms. There are a spread of K–N bond distances ranging from 2.78–3.09 Å. Mn2+ is bonded in a tetrahedral geometry to four N1- atoms. There is two shorter (1.67 Å) and two longer (1.69 Å) Mn–N bond length. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom. In the second N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom. In the third N1- site, N1- is bonded in a distorted single-bond geometry to three K1+ and one Mn2+ atom. In the fourth N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom.},
doi = {10.17188/1746691},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}