Materials Data on Li3Co(NO2)6 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1301170· OSTI ID:1301170

(Li(NO2)2)3Co crystallizes in the trigonal R-3m space group. The structure is three-dimensional and consists of three cobalt molecules and one Li(NO2)2 framework. In the Li(NO2)2 framework, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.01 Å) and three longer (2.30 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.43 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+ and one N3+ atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1301170
• Report Number(s): mp-772317
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Li-N-O
Li3Co(NO2)6
crystal structure