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Title: Materials Data on MnMoN2 by Materials Project

Abstract

MoMnN2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent N3- atoms to form distorted MoN6 pentagonal pyramids that share corners with twelve equivalent MnN6 octahedra, edges with six equivalent MoN6 pentagonal pyramids, and faces with two equivalent MnN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Mo–N bond lengths are 2.15 Å. Mn2+ is bonded to six equivalent N3- atoms to form MnN6 octahedra that share corners with twelve equivalent MoN6 pentagonal pyramids, edges with six equivalent MnN6 octahedra, and faces with two equivalent MoN6 pentagonal pyramids. All Mn–N bond lengths are 2.10 Å. N3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Mn2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-9374
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; MnMoN2; Mn-Mo-N
OSTI Identifier:
1313171
DOI:
https://doi.org/10.17188/1313171

Citation Formats

The Materials Project. Materials Data on MnMoN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313171.
The Materials Project. Materials Data on MnMoN2 by Materials Project. United States. doi:https://doi.org/10.17188/1313171
The Materials Project. 2020. "Materials Data on MnMoN2 by Materials Project". United States. doi:https://doi.org/10.17188/1313171. https://www.osti.gov/servlets/purl/1313171. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1313171,
title = {Materials Data on MnMoN2 by Materials Project},
author = {The Materials Project},
abstractNote = {MoMnN2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent N3- atoms to form distorted MoN6 pentagonal pyramids that share corners with twelve equivalent MnN6 octahedra, edges with six equivalent MoN6 pentagonal pyramids, and faces with two equivalent MnN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Mo–N bond lengths are 2.15 Å. Mn2+ is bonded to six equivalent N3- atoms to form MnN6 octahedra that share corners with twelve equivalent MoN6 pentagonal pyramids, edges with six equivalent MnN6 octahedra, and faces with two equivalent MoN6 pentagonal pyramids. All Mn–N bond lengths are 2.10 Å. N3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Mn2+ atoms.},
doi = {10.17188/1313171},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}