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Title: Materials Data on CsLi2I3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274914· OSTI ID:1274914

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:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1274914
Report Number(s):
mp-569055
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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