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Title: Materials Data on MnC4Br3N by Materials Project

Abstract

MnBr3(C)3CN crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two hydrogen cyanide molecules; six medicinal charcoal molecules; and one MnBr3 ribbon oriented in the (0, 1, 0) direction. In the MnBr3 ribbon, Mn2+ is bonded to six Br1- atoms to form face-sharing MnBr6 octahedra. There are a spread of Mn–Br bond distances ranging from 2.54–2.56 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mn2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mn2+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1180510
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; MnC4Br3N; Br-C-Mn-N
OSTI Identifier:
1718593
DOI:
https://doi.org/10.17188/1718593

Citation Formats

The Materials Project. Materials Data on MnC4Br3N by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1718593.
The Materials Project. Materials Data on MnC4Br3N by Materials Project. United States. doi:https://doi.org/10.17188/1718593
The Materials Project. 2019. "Materials Data on MnC4Br3N by Materials Project". United States. doi:https://doi.org/10.17188/1718593. https://www.osti.gov/servlets/purl/1718593. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1718593,
title = {Materials Data on MnC4Br3N by Materials Project},
author = {The Materials Project},
abstractNote = {MnBr3(C)3CN crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two hydrogen cyanide molecules; six medicinal charcoal molecules; and one MnBr3 ribbon oriented in the (0, 1, 0) direction. In the MnBr3 ribbon, Mn2+ is bonded to six Br1- atoms to form face-sharing MnBr6 octahedra. There are a spread of Mn–Br bond distances ranging from 2.54–2.56 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mn2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mn2+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ atoms.},
doi = {10.17188/1718593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}