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

Title: Materials Data on Mn3ZnO7 by Materials Project

Abstract

ZnMn3O7 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one ZnMn3O7 sheet oriented in the (1, 1, 1) direction. there are two inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.96 Å. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.96 Å. Zn2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Zn–O bond lengths are 1.91 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn4+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Mn4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Mn4+ and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn4+ atoms. In the fifth O2-more » site, O2- is bonded in a trigonal non-coplanar geometry to two Mn4+ and one Zn2+ atom. The O–Mn bond length is 1.94 Å. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn4+ atoms. There is one shorter (1.95 Å) and one longer (1.96 Å) O–Mn bond length. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three Mn4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1210738
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; Mn3ZnO7; Mn-O-Zn
OSTI Identifier:
1680958
DOI:
https://doi.org/10.17188/1680958

Citation Formats

The Materials Project. Materials Data on Mn3ZnO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680958.
The Materials Project. Materials Data on Mn3ZnO7 by Materials Project. United States. doi:https://doi.org/10.17188/1680958
The Materials Project. 2020. "Materials Data on Mn3ZnO7 by Materials Project". United States. doi:https://doi.org/10.17188/1680958. https://www.osti.gov/servlets/purl/1680958. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1680958,
title = {Materials Data on Mn3ZnO7 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnMn3O7 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one ZnMn3O7 sheet oriented in the (1, 1, 1) direction. there are two inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.96 Å. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.96 Å. Zn2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Zn–O bond lengths are 1.91 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn4+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Mn4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Mn4+ and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn4+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Mn4+ and one Zn2+ atom. The O–Mn bond length is 1.94 Å. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn4+ atoms. There is one shorter (1.95 Å) and one longer (1.96 Å) O–Mn bond length. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three Mn4+ atoms.},
doi = {10.17188/1680958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}