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Materials Data on LiPrSn by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189139· OSTI ID:1189139
LiPrSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Sn atoms. All Li–Pr bond lengths are 2.94 Å. All Li–Sn bond lengths are 2.94 Å. Pr is bonded in a 10-coordinate geometry to four equivalent Li and six equivalent Sn atoms. All Pr–Sn bond lengths are 3.39 Å. Sn is bonded to four equivalent Li and six equivalent Pr atoms to form a mixture of distorted corner and face-sharing SnLi4Pr6 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:
1189139
Report Number(s):
mp-12718
Country of Publication:
United States
Language:
English

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