skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mn(H2N)2 by Materials Project

Abstract

Mn(NH)2H2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of thirty-two hydrogen molecules and two Mn(NH)2 frameworks. In each Mn(NH)2 framework, Mn2+ is bonded in a distorted rectangular see-saw-like geometry to two N3- and two equivalent H1+ atoms. There are one shorter (2.03 Å) and one longer (2.09 Å) Mn–N bond lengths. There is one shorter (1.72 Å) and one longer (1.73 Å) Mn–H bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two equivalent N3- atoms. Both N–N bond lengths are 1.18 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Mn2+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two equivalent Mn2+ atoms. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-703486
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; Mn(H2N)2; H-Mn-N
OSTI Identifier:
1285633
DOI:
10.17188/1285633

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mn(H2N)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285633.
Persson, Kristin, & Project, Materials. Materials Data on Mn(H2N)2 by Materials Project. United States. doi:10.17188/1285633.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mn(H2N)2 by Materials Project". United States. doi:10.17188/1285633. https://www.osti.gov/servlets/purl/1285633. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1285633,
title = {Materials Data on Mn(H2N)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mn(NH)2H2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of thirty-two hydrogen molecules and two Mn(NH)2 frameworks. In each Mn(NH)2 framework, Mn2+ is bonded in a distorted rectangular see-saw-like geometry to two N3- and two equivalent H1+ atoms. There are one shorter (2.03 Å) and one longer (2.09 Å) Mn–N bond lengths. There is one shorter (1.72 Å) and one longer (1.73 Å) Mn–H bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two equivalent N3- atoms. Both N–N bond lengths are 1.18 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Mn2+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two equivalent Mn2+ atoms. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.},
doi = {10.17188/1285633},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

Dataset:

Save / Share: