Materials Data on CsLi2I3 by Materials Project
CsLi2I3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Cs–I bond lengths are 4.01 Å. Li1+ is bonded to four I1- atoms to form corner-sharing LiI4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.84 Å) Li–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Li1+ atoms. In the second I1- site, I1- is bonded to four equivalent Li1+ atoms to form corner-sharing ILi4 tetrahedra.
- 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:
- 1274914
- Report Number(s):
- mp-569055
- Country of Publication:
- United States
- Language:
- English
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