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Title: Materials Data on Mn3NiO10 by Materials Project

Abstract

Mn3NiO10 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Mn3NiO10 sheets oriented in the (0, 0, 1) direction. Mn+5.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent NiO6 octahedra and edges with five equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There is three shorter (1.82 Å) and three longer (1.94 Å) Ni–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn+5.33+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Ni4+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mn+5.33+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn+5.33+ and one Ni4+ atom.

Publication Date:
Other Number(s):
mp-1192587
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; Mn3NiO10; Mn-Ni-O
OSTI Identifier:
1707034
DOI:
https://doi.org/10.17188/1707034

Citation Formats

The Materials Project. Materials Data on Mn3NiO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707034.
The Materials Project. Materials Data on Mn3NiO10 by Materials Project. United States. doi:https://doi.org/10.17188/1707034
The Materials Project. 2020. "Materials Data on Mn3NiO10 by Materials Project". United States. doi:https://doi.org/10.17188/1707034. https://www.osti.gov/servlets/purl/1707034. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1707034,
title = {Materials Data on Mn3NiO10 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3NiO10 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Mn3NiO10 sheets oriented in the (0, 0, 1) direction. Mn+5.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent NiO6 octahedra and edges with five equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There is three shorter (1.82 Å) and three longer (1.94 Å) Ni–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn+5.33+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Ni4+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mn+5.33+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn+5.33+ and one Ni4+ atom.},
doi = {10.17188/1707034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}