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Title: Materials Data on Mn4N by Materials Project

Abstract

Mn4N crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one ammonia molecule and one Mn framework. In the Mn framework, there are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six Mn atoms to form corner-sharing MnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.16 Å) and two longer (2.17 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Mn atoms. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Mn atoms. In the fourth Mn site, Mn is bonded in a linear geometry to two equivalent Mn atoms.

Publication Date:
Other Number(s):
mp-637576
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; Mn4N; Mn-N
OSTI Identifier:
1279704
DOI:
10.17188/1279704

Citation Formats

The Materials Project. Materials Data on Mn4N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279704.
The Materials Project. Materials Data on Mn4N by Materials Project. United States. doi:10.17188/1279704.
The Materials Project. 2020. "Materials Data on Mn4N by Materials Project". United States. doi:10.17188/1279704. https://www.osti.gov/servlets/purl/1279704. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1279704,
title = {Materials Data on Mn4N by Materials Project},
author = {The Materials Project},
abstractNote = {Mn4N crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one ammonia molecule and one Mn framework. In the Mn framework, there are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six Mn atoms to form corner-sharing MnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.16 Å) and two longer (2.17 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Mn atoms. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Mn atoms. In the fourth Mn site, Mn is bonded in a linear geometry to two equivalent Mn atoms.},
doi = {10.17188/1279704},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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