Materials Data on TaGeRh by Materials Project

Dataset · Fri Jul 24 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1313452· OSTI ID:1313452

TaRhGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Ge atoms. All Ta–Rh bond lengths are 2.64 Å. All Ta–Ge bond lengths are 2.64 Å. Rh is bonded to four equivalent Ta and six equivalent Ge atoms to form distorted RhTa4Ge6 tetrahedra that share corners with four equivalent GeTa4Rh6 tetrahedra, corners with six equivalent RhTa4Ge6 tetrahedra, edges with six equivalent GeTa4Rh6 tetrahedra, and faces with twelve equivalent RhTa4Ge6 tetrahedra. All Rh–Ge bond lengths are 3.05 Å. Ge is bonded to four equivalent Ta and six equivalent Rh atoms to form distorted GeTa4Rh6 tetrahedra that share corners with four equivalent RhTa4Ge6 tetrahedra, corners with six equivalent GeTa4Rh6 tetrahedra, edges with six equivalent RhTa4Ge6 tetrahedra, and faces with twelve equivalent GeTa4Rh6 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: 1313452
• Report Number(s): mp-961727
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Rh-Ta
TaGeRh
crystal structure