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Title: Materials Data on Li3Sb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1307861· OSTI ID:1307861

Li3Sb is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent Sb3- atoms to form a mixture of distorted corner, edge, and face-sharing LiSb4 tetrahedra. There are one shorter (2.82 Å) and three longer (3.03 Å) Li–Sb bond lengths. In the second Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Li–Sb bond lengths are 2.71 Å. Sb3- is bonded in a 11-coordinate geometry to eleven Li1+ atoms.

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:
1307861
Report Number(s):
mp-7955
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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