U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2NiO4 by Materials Project
Abstract
NiMn2O4 is Spinel structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NiO4 tetrahedra and edges with six MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.96–2.32 Å. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NiO4 tetrahedra and edges with six MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.96–2.31 Å. Ni4+ is bonded to four O2- atoms to form NiO4 tetrahedra that share corners with twelve MnO6 octahedra. The corner-sharing octahedra tilt angles range from 56–59°. There are a spread of Ni–O bond distances ranging from 1.98–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn2+ and one Ni4+ atom. In the second O2- site, O2- is bonded to three Mn2+ and one Ni4+ atom to form a mixture of distorted edge and corner-sharing OMn3Ni trigonal pyramids. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-622693
- 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:
- 1278156
- DOI:
- https://doi.org/10.17188/1278156
Citation Formats
The Materials Project. Materials Data on Mn2NiO4 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1278156.
The Materials Project. Materials Data on Mn2NiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1278156
The Materials Project. 2014.
"Materials Data on Mn2NiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1278156. https://www.osti.gov/servlets/purl/1278156. Pub date:Mon May 19 00:00:00 EDT 2014
@article{osti_1278156,
title = {Materials Data on Mn2NiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {NiMn2O4 is Spinel structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NiO4 tetrahedra and edges with six MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.96–2.32 Å. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NiO4 tetrahedra and edges with six MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.96–2.31 Å. Ni4+ is bonded to four O2- atoms to form NiO4 tetrahedra that share corners with twelve MnO6 octahedra. The corner-sharing octahedra tilt angles range from 56–59°. There are a spread of Ni–O bond distances ranging from 1.98–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn2+ and one Ni4+ atom. In the second O2- site, O2- is bonded to three Mn2+ and one Ni4+ atom to form a mixture of distorted edge and corner-sharing OMn3Ni trigonal pyramids. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn2+ and one Ni4+ atom. In the fourth O2- site, O2- is bonded to three Mn2+ and one Ni4+ atom to form a mixture of distorted edge and corner-sharing OMn3Ni trigonal pyramids.},
doi = {10.17188/1278156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {5}
}