U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La2MnNiO6 by Materials Project
Abstract
La2NiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.79 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. All Mn–O bond lengths are 1.94 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 23–24°. All Ni–O bond lengths are 2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Mn2+, and one Ni4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Mn2+, and one Ni4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+, one Mn2+, and one Ni4+ atom.
- Publication Date:
- Other Number(s):
- mp-1188812
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; La-Mn-Ni-O; La2MnNiO6; crystal structure
- OSTI Identifier:
- 1676505
- DOI:
- https://doi.org/10.17188/1676505
Citation Formats
Materials Data on La2MnNiO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1676505.
Materials Data on La2MnNiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1676505
2020.
"Materials Data on La2MnNiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1676505. https://www.osti.gov/servlets/purl/1676505. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1676505,
title = {Materials Data on La2MnNiO6 by Materials Project},
abstractNote = {La2NiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.79 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. All Mn–O bond lengths are 1.94 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 23–24°. All Ni–O bond lengths are 2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Mn2+, and one Ni4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Mn2+, and one Ni4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+, one Mn2+, and one Ni4+ atom.},
doi = {10.17188/1676505},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}