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

Title: Materials Data on Mn3(HO3)2 by Materials Project

Abstract

Mn3(HO3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mn+3.33+ sites. In the first Mn+3.33+ site, Mn+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–60°. There is four shorter (1.93 Å) and two longer (1.99 Å) Mn–O bond length. In the second Mn+3.33+ site, Mn+3.33+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Mn–O bond distances ranging from 1.95–2.42 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn+3.33+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Mn+3.33+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mn+3.33+ and one H1+ atom.

Publication Date:
Other Number(s):
mp-1004758
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; Mn3(HO3)2; H-Mn-O
OSTI Identifier:
1305771
DOI:
10.17188/1305771

Citation Formats

The Materials Project. Materials Data on Mn3(HO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305771.
The Materials Project. Materials Data on Mn3(HO3)2 by Materials Project. United States. doi:10.17188/1305771.
The Materials Project. 2020. "Materials Data on Mn3(HO3)2 by Materials Project". United States. doi:10.17188/1305771. https://www.osti.gov/servlets/purl/1305771. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1305771,
title = {Materials Data on Mn3(HO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3(HO3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mn+3.33+ sites. In the first Mn+3.33+ site, Mn+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–60°. There is four shorter (1.93 Å) and two longer (1.99 Å) Mn–O bond length. In the second Mn+3.33+ site, Mn+3.33+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Mn–O bond distances ranging from 1.95–2.42 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn+3.33+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Mn+3.33+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mn+3.33+ and one H1+ atom.},
doi = {10.17188/1305771},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: