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Title: Materials Data on MnH12(C2N5)2 by Materials Project

Abstract

MnN9N(CH3)4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional and consists of two tetramethylammonium molecules and one MnN9 framework. In the MnN9 framework, Mn2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Mn–N bond distances ranging from 2.00–2.06 Å. There are nine inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. The N–N bond length is 1.20 Å. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Mn2+ and one N3- atom. The N–N bond length is 1.19 Å. In the third N3- site, N3- is bonded in a linear geometry to two N3- atoms. The N–N bond length is 1.19 Å. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. The N–N bond length is 1.19 Å. In the fifth N3- site, N3- is bonded in a linear geometry to two N3- atoms. The N–N bond length is 1.19 Å. In the sixth N3- site, N3- is bonded in a linear geometry to twomore » N3- atoms. The N–N bond length is 1.20 Å. In the seventh N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. In the eighth N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. In the ninth N3- site, N3- is bonded in a distorted linear geometry to one Mn2+ and one N3- atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-600226
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; MnH12(C2N5)2; C-H-Mn-N
OSTI Identifier:
1268341
DOI:
10.17188/1268341

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MnH12(C2N5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268341.
Persson, Kristin, & Project, Materials. Materials Data on MnH12(C2N5)2 by Materials Project. United States. doi:10.17188/1268341.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on MnH12(C2N5)2 by Materials Project". United States. doi:10.17188/1268341. https://www.osti.gov/servlets/purl/1268341. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1268341,
title = {Materials Data on MnH12(C2N5)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MnN9N(CH3)4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional and consists of two tetramethylammonium molecules and one MnN9 framework. In the MnN9 framework, Mn2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Mn–N bond distances ranging from 2.00–2.06 Å. There are nine inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. The N–N bond length is 1.20 Å. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Mn2+ and one N3- atom. The N–N bond length is 1.19 Å. In the third N3- site, N3- is bonded in a linear geometry to two N3- atoms. The N–N bond length is 1.19 Å. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. The N–N bond length is 1.19 Å. In the fifth N3- site, N3- is bonded in a linear geometry to two N3- atoms. The N–N bond length is 1.19 Å. In the sixth N3- site, N3- is bonded in a linear geometry to two N3- atoms. The N–N bond length is 1.20 Å. In the seventh N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. In the eighth N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. In the ninth N3- site, N3- is bonded in a distorted linear geometry to one Mn2+ and one N3- atom.},
doi = {10.17188/1268341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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