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Title: Materials Data on ZnFePb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279042· OSTI ID:1279042

FeZnPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Fe is bonded to four equivalent Pb atoms to form distorted FePb4 tetrahedra that share corners with four equivalent ZnPb4 tetrahedra, corners with twelve equivalent FePb4 tetrahedra, and edges with six equivalent ZnPb4 tetrahedra. All Fe–Pb bond lengths are 2.69 Å. Zn is bonded to four equivalent Pb atoms to form distorted ZnPb4 tetrahedra that share corners with four equivalent FePb4 tetrahedra, corners with twelve equivalent ZnPb4 tetrahedra, and edges with six equivalent FePb4 tetrahedra. All Zn–Pb bond lengths are 2.69 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Zn 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:
1279042
Report Number(s):
mp-631270
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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