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Title: Materials Data on Mn4NO8 by Materials Project

Abstract

Mn4NO8 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mn+4.75+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. N3- is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All N–O bond lengths are 2.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn+4.75+ and two equivalent N3- atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mn+4.75+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1210626
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; Mn4NO8; Mn-N-O
OSTI Identifier:
1738246
DOI:
https://doi.org/10.17188/1738246

Citation Formats

The Materials Project. Materials Data on Mn4NO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738246.
The Materials Project. Materials Data on Mn4NO8 by Materials Project. United States. doi:https://doi.org/10.17188/1738246
The Materials Project. 2020. "Materials Data on Mn4NO8 by Materials Project". United States. doi:https://doi.org/10.17188/1738246. https://www.osti.gov/servlets/purl/1738246. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1738246,
title = {Materials Data on Mn4NO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn4NO8 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mn+4.75+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. N3- is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All N–O bond lengths are 2.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn+4.75+ and two equivalent N3- atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mn+4.75+ atoms.},
doi = {10.17188/1738246},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}