U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2(NiO2)5 by Materials Project
Abstract
Li2(NiO2)5 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.92–2.09 Å. There are three inequivalent Ni+3.60+ sites. In the first Ni+3.60+ site, Ni+3.60+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 1.88 Å. In the second Ni+3.60+ site, Ni+3.60+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.86–2.06 Å. In the third Ni+3.60+ site, Ni+3.60+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.85–1.92 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Ni+3.60+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Ni+3.60+ atoms. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Ni+3.60+ atoms. In the fourthmore »
- Publication Date:
- Other Number(s):
- mp-762387
- 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; crystal structure; Li-Ni-O; Li2(NiO2)5
- OSTI Identifier:
- 1292590
- DOI:
- https://doi.org/10.17188/1292590
Citation Formats
Materials Data on Li2(NiO2)5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1292590.
Materials Data on Li2(NiO2)5 by Materials Project. United States. doi:https://doi.org/10.17188/1292590
2020.
"Materials Data on Li2(NiO2)5 by Materials Project". United States. doi:https://doi.org/10.17188/1292590. https://www.osti.gov/servlets/purl/1292590. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1292590,
title = {Materials Data on Li2(NiO2)5 by Materials Project},
abstractNote = {Li2(NiO2)5 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.92–2.09 Å. There are three inequivalent Ni+3.60+ sites. In the first Ni+3.60+ site, Ni+3.60+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 1.88 Å. In the second Ni+3.60+ site, Ni+3.60+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.86–2.06 Å. In the third Ni+3.60+ site, Ni+3.60+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.85–1.92 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Ni+3.60+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Ni+3.60+ atoms. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Ni+3.60+ atoms. In the fourth O2- site, O2- is bonded to one Li1+ and three Ni+3.60+ atoms to form distorted edge-sharing OLiNi3 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to three Ni+3.60+ atoms.},
doi = {10.17188/1292590},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}