U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3Ni2SbO6 by Materials Project
Abstract
Li3Ni2SbO6 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent NiO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent NiO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There are a spread of Li–O bond distances ranging from 2.18–2.20 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent NiO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent NiO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–6°. There are four shorter (2.15 Å) and two longer (2.28 Å) Li–O bond lengths. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent NiO6 octahedra, edges with three equivalent SbO6 octahedra, and edges with six LiO6 octahedra. The corner-sharingmore »
- Publication Date:
- Other Number(s):
- mp-1102490
- 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-Sb; Li3Ni2SbO6; crystal structure
- OSTI Identifier:
- 1704266
- DOI:
- https://doi.org/10.17188/1704266
Citation Formats
Materials Data on Li3Ni2SbO6 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1704266.
Materials Data on Li3Ni2SbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1704266
2018.
"Materials Data on Li3Ni2SbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1704266. https://www.osti.gov/servlets/purl/1704266. Pub date:Wed Jul 18 04:00:00 UTC 2018
@article{osti_1704266,
title = {Materials Data on Li3Ni2SbO6 by Materials Project},
abstractNote = {Li3Ni2SbO6 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent NiO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent NiO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There are a spread of Li–O bond distances ranging from 2.18–2.20 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent NiO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent NiO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–6°. There are four shorter (2.15 Å) and two longer (2.28 Å) Li–O bond lengths. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent NiO6 octahedra, edges with three equivalent SbO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–7°. There are four shorter (2.11 Å) and two longer (2.13 Å) Ni–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sb–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+, two equivalent Ni2+, and one Sb5+ atom to form a mixture of edge and corner-sharing OLi3Ni2Sb octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second O2- site, O2- is bonded to three Li1+, two equivalent Ni2+, and one Sb5+ atom to form a mixture of edge and corner-sharing OLi3Ni2Sb octahedra. The corner-sharing octahedra tilt angles range from 0–5°.},
doi = {10.17188/1704266},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}