U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2(NiO2)3 by Materials Project
Abstract
Li2(NiO2)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six NiO6 octahedra, edges with three equivalent LiO6 octahedra, and edges with six NiO6 octahedra. The corner-sharing octahedra tilt angles range from 10–11°. There are a spread of Li–O bond distances ranging from 2.08–2.19 Å. There are two inequivalent Ni+3.33+ sites. In the first Ni+3.33+ site, Ni+3.33+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with six NiO6 octahedra. The corner-sharing octahedra tilt angles range from 10–11°. There are a spread of Ni–O bond distances ranging from 1.88–2.00 Å. In the second Ni+3.33+ site, Ni+3.33+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with six equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 11°. There is two shorter (1.89 Å) and four longer (2.01 Å) Ni–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+more »
- Publication Date:
- Other Number(s):
- mp-762391
- 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-Ni-O; Li2(NiO2)3; crystal structure
- OSTI Identifier:
- 1292594
- DOI:
- https://doi.org/10.17188/1292594
Citation Formats
Materials Data on Li2(NiO2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1292594.
Materials Data on Li2(NiO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1292594
2020.
"Materials Data on Li2(NiO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1292594. https://www.osti.gov/servlets/purl/1292594. Pub date:Mon May 04 04:00:00 UTC 2020
@article{osti_1292594,
title = {Materials Data on Li2(NiO2)3 by Materials Project},
abstractNote = {Li2(NiO2)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six NiO6 octahedra, edges with three equivalent LiO6 octahedra, and edges with six NiO6 octahedra. The corner-sharing octahedra tilt angles range from 10–11°. There are a spread of Li–O bond distances ranging from 2.08–2.19 Å. There are two inequivalent Ni+3.33+ sites. In the first Ni+3.33+ site, Ni+3.33+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with six NiO6 octahedra. The corner-sharing octahedra tilt angles range from 10–11°. There are a spread of Ni–O bond distances ranging from 1.88–2.00 Å. In the second Ni+3.33+ site, Ni+3.33+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with six equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 11°. There is two shorter (1.89 Å) and four longer (2.01 Å) Ni–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+ and three Ni+3.33+ atoms to form a mixture of edge and corner-sharing OLi2Ni3 square pyramids. In the second O2- site, O2- is bonded to two equivalent Li1+ and three Ni+3.33+ atoms to form a mixture of edge and corner-sharing OLi2Ni3 square pyramids.},
doi = {10.17188/1292594},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon May 04 04:00:00 UTC 2020},
month = {Mon May 04 04:00:00 UTC 2020}
}