U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiNi(CO3)2 by Materials Project
Abstract
LiNi(CO3)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.51 Å. Ni3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ni–O bond distances ranging from 1.93–2.15 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.31 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Ni3+, and one C4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ni3+, and one C4+ atom. In the third O2- site, O2- is bonded in an L-shaped geometry to one Ni3+ and one C4+ atom. In the fourth O2- site, O2- ismore »
- Publication Date:
- Other Number(s):
- mp-763540
- 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; C-Li-Ni-O; LiNi(CO3)2; crystal structure
- OSTI Identifier:
- 1293618
- DOI:
- https://doi.org/10.17188/1293618
Citation Formats
Materials Data on LiNi(CO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1293618.
Materials Data on LiNi(CO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1293618
2020.
"Materials Data on LiNi(CO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1293618. https://www.osti.gov/servlets/purl/1293618. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1293618,
title = {Materials Data on LiNi(CO3)2 by Materials Project},
abstractNote = {LiNi(CO3)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.51 Å. Ni3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ni–O bond distances ranging from 1.93–2.15 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.31 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Ni3+, and one C4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ni3+, and one C4+ atom. In the third O2- site, O2- is bonded in an L-shaped geometry to one Ni3+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ni3+, and one C4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ni3+, and one C4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ni3+, and one C4+ atom.},
doi = {10.17188/1293618},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}