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

Title: Materials Data on Mn2HO4 by Materials Project

Abstract

Mn2O4H crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form distorted edge-sharing MnO6 octahedra. There are four shorter (1.98 Å) and two longer (2.27 Å) Mn–O bond lengths. In the second Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.95 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn+3.50+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn+3.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn+3.50+ atoms.

Publication Date:
Other Number(s):
mp-1003920
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; Mn2HO4; H-Mn-O
OSTI Identifier:
1299724
DOI:
10.17188/1299724

Citation Formats

The Materials Project. Materials Data on Mn2HO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299724.
The Materials Project. Materials Data on Mn2HO4 by Materials Project. United States. doi:10.17188/1299724.
The Materials Project. 2020. "Materials Data on Mn2HO4 by Materials Project". United States. doi:10.17188/1299724. https://www.osti.gov/servlets/purl/1299724. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1299724,
title = {Materials Data on Mn2HO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2O4H crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form distorted edge-sharing MnO6 octahedra. There are four shorter (1.98 Å) and two longer (2.27 Å) Mn–O bond lengths. In the second Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.95 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn+3.50+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn+3.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn+3.50+ atoms.},
doi = {10.17188/1299724},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: