U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2HO4 by Materials Project
Abstract
Mn2O4H crystallizes in the tetragonal P4_2/n 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 a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Mn–O bond distances ranging from 1.91–2.05 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Mn–O bond distances ranging from 1.90–2.21 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Mn+3.50+ and one H1+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Mn+3.50+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three Mn+3.50+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1080222
- 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; Mn2HO4; H-Mn-O
- OSTI Identifier:
- 1739025
- DOI:
- https://doi.org/10.17188/1739025
Citation Formats
The Materials Project. Materials Data on Mn2HO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739025.
The Materials Project. Materials Data on Mn2HO4 by Materials Project. United States. doi:https://doi.org/10.17188/1739025
The Materials Project. 2020.
"Materials Data on Mn2HO4 by Materials Project". United States. doi:https://doi.org/10.17188/1739025. https://www.osti.gov/servlets/purl/1739025. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1739025,
title = {Materials Data on Mn2HO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2O4H crystallizes in the tetragonal P4_2/n 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 a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Mn–O bond distances ranging from 1.91–2.05 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Mn–O bond distances ranging from 1.90–2.21 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Mn+3.50+ and one H1+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Mn+3.50+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three Mn+3.50+ atoms.},
doi = {10.17188/1739025},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}