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Materials Data on TeRuPb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279099· OSTI ID:1279099
RuPbTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ru is bonded to four equivalent Pb and six equivalent Te atoms to form distorted RuTe6Pb4 tetrahedra that share corners with four equivalent TeRu6Pb4 tetrahedra, corners with six equivalent RuTe6Pb4 tetrahedra, edges with six equivalent TeRu6Pb4 tetrahedra, and faces with twelve equivalent RuTe6Pb4 tetrahedra. All Ru–Pb bond lengths are 2.97 Å. All Ru–Te bond lengths are 3.43 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Te atoms. All Pb–Te bond lengths are 2.97 Å. Te is bonded to six equivalent Ru and four equivalent Pb atoms to form distorted TeRu6Pb4 tetrahedra that share corners with four equivalent RuTe6Pb4 tetrahedra, corners with six equivalent TeRu6Pb4 tetrahedra, edges with six equivalent RuTe6Pb4 tetrahedra, and faces with twelve equivalent TeRu6Pb4 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:
1279099
Report Number(s):
mp-631365
Country of Publication:
United States
Language:
English

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