U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Cr(CO3)2 by Materials Project
Abstract
Li2Cr(CO3)2 crystallizes in the orthorhombic Fdd2 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 1.96–2.60 Å. Cr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cr–O bond distances ranging from 2.07–2.37 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.27–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Li1+, one Cr2+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Cr2+, and one C4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Cr2+, and one C4+ atom.
- Publication Date:
- Other Number(s):
- mp-1178034
- 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-Cr-Li-O; Li2Cr(CO3)2; crystal structure
- OSTI Identifier:
- 1714163
- DOI:
- https://doi.org/10.17188/1714163
Citation Formats
Materials Data on Li2Cr(CO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1714163.
Materials Data on Li2Cr(CO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1714163
2020.
"Materials Data on Li2Cr(CO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1714163. https://www.osti.gov/servlets/purl/1714163. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1714163,
title = {Materials Data on Li2Cr(CO3)2 by Materials Project},
abstractNote = {Li2Cr(CO3)2 crystallizes in the orthorhombic Fdd2 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 1.96–2.60 Å. Cr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cr–O bond distances ranging from 2.07–2.37 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.27–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Li1+, one Cr2+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Cr2+, and one C4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Cr2+, and one C4+ atom.},
doi = {10.17188/1714163},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 04:00:00 UTC 2020},
month = {Sat May 02 04:00:00 UTC 2020}
}