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Title: Materials Data on Mn3ZnO10 by Materials Project

Abstract

Mn3ZnO10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mn6+ sites. In the first Mn6+ site, Mn6+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.97 Å. In the second Mn6+ site, Mn6+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. In the third Mn6+ site, Mn6+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.97 Å. Zn2+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.91–2.78 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Mn6+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn6+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn6+ and one Zn2+ atom. In the fourth O2- site, O2- is bondedmore » in a distorted trigonal non-coplanar geometry to three Mn6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Mn6+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Mn6+ atoms. In the seventh O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Mn6+ and one Zn2+ atom. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and one O2- atom. The O–O bond length is 1.23 Å. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one O2- atom. The O–O bond length is 1.23 Å. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two O2- atoms. The O–O bond length is 2.05 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1180467
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; Mn3ZnO10; Mn-O-Zn
OSTI Identifier:
1677313
DOI:
https://doi.org/10.17188/1677313

Citation Formats

The Materials Project. Materials Data on Mn3ZnO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677313.
The Materials Project. Materials Data on Mn3ZnO10 by Materials Project. United States. doi:https://doi.org/10.17188/1677313
The Materials Project. 2020. "Materials Data on Mn3ZnO10 by Materials Project". United States. doi:https://doi.org/10.17188/1677313. https://www.osti.gov/servlets/purl/1677313. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1677313,
title = {Materials Data on Mn3ZnO10 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3ZnO10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mn6+ sites. In the first Mn6+ site, Mn6+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.97 Å. In the second Mn6+ site, Mn6+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. In the third Mn6+ site, Mn6+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.97 Å. Zn2+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.91–2.78 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Mn6+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn6+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn6+ and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Mn6+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Mn6+ atoms. In the seventh O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Mn6+ and one Zn2+ atom. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and one O2- atom. The O–O bond length is 1.23 Å. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one O2- atom. The O–O bond length is 1.23 Å. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two O2- atoms. The O–O bond length is 2.05 Å.},
doi = {10.17188/1677313},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}