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Title: Materials Data on Li3Pr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1315182· OSTI ID:1315182

Li3Pr 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 in a body-centered cubic geometry to four equivalent Li and four equivalent Pr atoms. All Li–Li bond lengths are 3.19 Å. All Li–Pr bond lengths are 3.19 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pr atoms. All Li–Pr bond lengths are 3.68 Å. Pr 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:
1315182
Report Number(s):
mp-976321
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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