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Materials Data on ZrSbRh by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1683667· OSTI ID:1683667
ZrRhSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Sb atoms. All Zr–Rh bond lengths are 2.82 Å. All Zr–Sb bond lengths are 2.82 Å. Rh is bonded to four equivalent Zr atoms to form distorted RhZr4 tetrahedra that share corners with four equivalent SbZr4 tetrahedra, corners with twelve equivalent RhZr4 tetrahedra, and edges with six equivalent SbZr4 tetrahedra. Sb is bonded to four equivalent Zr atoms to form distorted SbZr4 tetrahedra that share corners with four equivalent RhZr4 tetrahedra, corners with twelve equivalent SbZr4 tetrahedra, and edges with six equivalent RhZr4 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:
1683667
Report Number(s):
mp-1206984
Country of Publication:
United States
Language:
English

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