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Title: Materials Data on NaIrPb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279064· OSTI ID:1279064

NaIrPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Pb atoms. All Na–Ir bond lengths are 2.81 Å. All Na–Pb bond lengths are 2.81 Å. Ir is bonded to four equivalent Na atoms to form IrNa4 tetrahedra that share corners with four equivalent PbNa4 tetrahedra, corners with twelve equivalent IrNa4 tetrahedra, and edges with six equivalent PbNa4 tetrahedra. Pb is bonded to four equivalent Na atoms to form PbNa4 tetrahedra that share corners with four equivalent IrNa4 tetrahedra, corners with twelve equivalent PbNa4 tetrahedra, and edges with six equivalent IrNa4 tetrahedra.

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:
1279064
Report Number(s):
mp-631317
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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