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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tc3Ge by Materials Project

Tc3Ge is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Tc+1.33- sites. In the first Tc+1.33- site, Tc+1.33- is bonded in a distorted body-centered cubic geometry to four equivalent Tc+1.33- and four equivalent Ge4+ atoms. All Tc–Tc bond lengths are 2.67 Å. All Tc–Ge bond lengths are 2.67 Å. In the second Tc+1.33- site, Tc+1.33- is bonded in a 8-coordinate geometry to eight equivalent Tc+1.33- and six equivalent Ge4+ atoms. All Tc–Ge bond lengths are 3.08 Å. Ge4+ is bonded in a distorted body-centered cubic geometry to fourteen Tc+1.33- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tc3Ge by Materials Project

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.

36 MATERIALS SCIENCE↗