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Title: Materials Data on MnH12N2(Cl2O)2 by Materials Project

Abstract

MnCl4(H2O)2(NH4)2 crystallizes in the tetragonal I-42m space group. The structure is zero-dimensional and consists of four ammonium molecules and two MnCl4(H2O)2 clusters. In each MnCl4(H2O)2 cluster, Mn2+ is bonded in an octahedral geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Mn–O bond lengths are 2.22 Å. All Mn–Cl bond lengths are 2.53 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to one Mn2+ and two equivalent H1+ atoms. Cl1- is bonded in a single-bond geometry to one Mn2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-703684
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; MnH12N2(Cl2O)2; Cl-H-Mn-N-O
OSTI Identifier:
1285658
DOI:
https://doi.org/10.17188/1285658

Citation Formats

The Materials Project. Materials Data on MnH12N2(Cl2O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285658.
The Materials Project. Materials Data on MnH12N2(Cl2O)2 by Materials Project. United States. doi:https://doi.org/10.17188/1285658
The Materials Project. 2020. "Materials Data on MnH12N2(Cl2O)2 by Materials Project". United States. doi:https://doi.org/10.17188/1285658. https://www.osti.gov/servlets/purl/1285658. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1285658,
title = {Materials Data on MnH12N2(Cl2O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnCl4(H2O)2(NH4)2 crystallizes in the tetragonal I-42m space group. The structure is zero-dimensional and consists of four ammonium molecules and two MnCl4(H2O)2 clusters. In each MnCl4(H2O)2 cluster, Mn2+ is bonded in an octahedral geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Mn–O bond lengths are 2.22 Å. All Mn–Cl bond lengths are 2.53 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to one Mn2+ and two equivalent H1+ atoms. Cl1- is bonded in a single-bond geometry to one Mn2+ atom.},
doi = {10.17188/1285658},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}