Materials Data on Tc3Ge by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1733006· OSTI ID:1733006

Tc3Ge is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc+1.33- is bonded to eight equivalent Tc+1.33- and four equivalent Ge4+ atoms to form TcTc8Ge4 cuboctahedra that share corners with four equivalent GeTc12 cuboctahedra, corners with fourteen equivalent TcTc8Ge4 cuboctahedra, edges with six equivalent GeTc12 cuboctahedra, edges with twelve equivalent TcTc8Ge4 cuboctahedra, faces with four equivalent GeTc12 cuboctahedra, and faces with sixteen equivalent TcTc8Ge4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.69–2.79 Å. There are two shorter (2.72 Å) and two longer (2.74 Å) Tc–Ge bond lengths. Ge4+ is bonded to twelve equivalent Tc+1.33- atoms to form GeTc12 cuboctahedra that share corners with six equivalent GeTc12 cuboctahedra, corners with twelve equivalent TcTc8Ge4 cuboctahedra, edges with eighteen equivalent TcTc8Ge4 cuboctahedra, faces with eight equivalent GeTc12 cuboctahedra, and faces with twelve equivalent TcTc8Ge4 cuboctahedra.

• 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: 1733006
• Report Number(s): mp-1187415
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Tc
Tc3Ge
crystal structure