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Title: Materials Data on Mn2NiO4 by Materials Project

Abstract

NiMn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent MnO6 octahedra and corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. There are two shorter (2.01 Å) and two longer (2.07 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent MnO6 octahedra, and edges with four equivalent NiO6 octahedra. There is two shorter (1.94 Å) and four longer (2.00 Å) Mn–O bond length. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent MnO6 octahedra. There are four shorter (2.06 Å) and two longer (2.13 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Mn2+ and two equivalent Ni4+ atoms.more » In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn2+ and one Ni4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-36843
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; Mn2NiO4; Mn-Ni-O
OSTI Identifier:
1207253
DOI:
https://doi.org/10.17188/1207253

Citation Formats

The Materials Project. Materials Data on Mn2NiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207253.
The Materials Project. Materials Data on Mn2NiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1207253
The Materials Project. 2020. "Materials Data on Mn2NiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1207253. https://www.osti.gov/servlets/purl/1207253. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1207253,
title = {Materials Data on Mn2NiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {NiMn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent MnO6 octahedra and corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. There are two shorter (2.01 Å) and two longer (2.07 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent MnO6 octahedra, and edges with four equivalent NiO6 octahedra. There is two shorter (1.94 Å) and four longer (2.00 Å) Mn–O bond length. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent MnO6 octahedra. There are four shorter (2.06 Å) and two longer (2.13 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Mn2+ and two equivalent Ni4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn2+ and one Ni4+ atom.},
doi = {10.17188/1207253},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}