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Title: Materials Data on Li3Ag by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1311056· OSTI ID:1311056

Li3Ag is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Ag atoms to form a mixture of distorted corner, edge, and face-sharing LiLi4Ag4 tetrahedra. All Li–Li bond lengths are 2.80 Å. All Li–Ag bond lengths are 2.80 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Ag atoms. All Li–Ag bond lengths are 3.23 Å. Ag is bonded in a distorted body-centered cubic geometry to fourteen Li 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:
1311056
Report Number(s):
mp-865875
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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