Materials Data on ZrAsRh by Materials Project

Dataset · Tue Jul 21 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1313446· OSTI ID:1313446

ZrRhAs 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 As atoms. All Zr–Rh bond lengths are 2.72 Å. All Zr–As bond lengths are 2.72 Å. Rh is bonded to four equivalent Zr atoms to form RhZr4 tetrahedra that share corners with four equivalent AsZr4 tetrahedra, corners with twelve equivalent RhZr4 tetrahedra, and edges with six equivalent AsZr4 tetrahedra. As is bonded to four equivalent Zr atoms to form AsZr4 tetrahedra that share corners with four equivalent RhZr4 tetrahedra, corners with twelve equivalent AsZr4 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: 1313446
• Report Number(s): mp-961720
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
As-Rh-Zr
ZrAsRh
crystal structure