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Title: Materials Data on MnHO2 by Materials Project

Abstract

MnOOH crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.27 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.28 Å. In the third Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.29 Å. In the fourth Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.28 Å. In the fifth Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.31 Å. In the sixth Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.30 Å. In the seventh Mn3+ site, Mn3+ is bondedmore » to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.30 Å. In the eighth Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.30 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the twelfth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the fourteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the fifteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1016111
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; MnHO2; H-Mn-O
OSTI Identifier:
1698677
DOI:
https://doi.org/10.17188/1698677

Citation Formats

The Materials Project. Materials Data on MnHO2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1698677.
The Materials Project. Materials Data on MnHO2 by Materials Project. United States. doi:https://doi.org/10.17188/1698677
The Materials Project. 2018. "Materials Data on MnHO2 by Materials Project". United States. doi:https://doi.org/10.17188/1698677. https://www.osti.gov/servlets/purl/1698677. Pub date:Sat Jun 02 00:00:00 EDT 2018
@article{osti_1698677,
title = {Materials Data on MnHO2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnOOH crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.27 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.28 Å. In the third Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.29 Å. In the fourth Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.28 Å. In the fifth Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.31 Å. In the sixth Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.30 Å. In the seventh Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.30 Å. In the eighth Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.30 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the twelfth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom. In the fourteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the fifteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn3+ atoms. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Mn3+ and one H1+ atom.},
doi = {10.17188/1698677},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {6}
}

Works referenced in this record:

Branched Mesoporous Mn3O4 Nanorods: Facile Synthesis and Catalysis in the Degradation of Methylene Blue
journal, March 2012


Mn Oxide-Silver Composite Nanowires for Improved Thermal Stability, SERS and Electrical Conductivity
journal, May 2014