U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Ti2MnNiO8 by Materials Project
Abstract
Li2Ti2MnNiO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent MnO6 octahedra, corners with three equivalent NiO6 octahedra, and corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 57–63°. There are a spread of Li–O bond distances ranging from 1.95–2.04 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent TiO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent NiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.96–2.03 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent TiO6 octahedra. There is four shorter (1.94 Å) and two longer (1.98 Å) Mn–O bond length. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent MnO6 octahedra, and edges with four equivalent TiO6 octahedra. There are four shortermore »
- Publication Date:
- Other Number(s):
- mp-1222689
- 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; Li-Mn-Ni-O-Ti; Li2Ti2MnNiO8; crystal structure
- OSTI Identifier:
- 1699629
- DOI:
- https://doi.org/10.17188/1699629
Citation Formats
Materials Data on Li2Ti2MnNiO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699629.
Materials Data on Li2Ti2MnNiO8 by Materials Project. United States. doi:https://doi.org/10.17188/1699629
2020.
"Materials Data on Li2Ti2MnNiO8 by Materials Project". United States. doi:https://doi.org/10.17188/1699629. https://www.osti.gov/servlets/purl/1699629. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1699629,
title = {Materials Data on Li2Ti2MnNiO8 by Materials Project},
abstractNote = {Li2Ti2MnNiO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent MnO6 octahedra, corners with three equivalent NiO6 octahedra, and corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 57–63°. There are a spread of Li–O bond distances ranging from 1.95–2.04 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent TiO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent NiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.96–2.03 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent TiO6 octahedra. There is four shorter (1.94 Å) and two longer (1.98 Å) Mn–O bond length. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent MnO6 octahedra, and edges with four equivalent TiO6 octahedra. There are four shorter (2.08 Å) and two longer (2.09 Å) Ni–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Ti4+, and one Ni4+ atom to form distorted OLiTi2Ni trigonal pyramids that share corners with six OLiTi2Ni trigonal pyramids and an edgeedge with one OLiTi2Mn trigonal pyramid. In the second O2- site, O2- is bonded to one Li1+, two equivalent Ti4+, and one Mn2+ atom to form a mixture of distorted corner and edge-sharing OLiTi2Mn trigonal pyramids. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, one Mn2+, and one Ni4+ atom.},
doi = {10.17188/1699629},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}