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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ThSiGe by Materials Project

ThGeSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Th is bonded to six equivalent Ge and six equivalent Si atoms to form a mixture of face and edge-sharing ThSi6Ge6 cuboctahedra. There are four shorter (3.16 Å) and two longer (3.34 Å) Th–Ge bond lengths. There are four shorter (3.16 Å) and two longer (3.34 Å) Th–Si bond lengths. Ge is bonded in a 3-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.45 Å) and one longer (2.57 Å) Ge–Si bond lengths. Si is bonded in a 3-coordinate geometry to six equivalent Th and three equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th4SiGe by Materials Project

Th4GeSi is Khatyrkite-derived structured and crystallizes in the tetragonal I422 space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to two equivalent Ge and two equivalent Si atoms. Both Th–Ge bond lengths are 3.15 Å. Both Th–Si bond lengths are 3.15 Å. Ge is bonded in a 10-coordinate geometry to eight equivalent Th and two equivalent Si atoms. Both Ge–Si bond lengths are 3.02 Å. Si is bonded in a 10-coordinate geometry to eight equivalent Th and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th2SiGe by Materials Project

Th2GeSi crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 7-coordinate geometry to three equivalent Ge and four equivalent Si atoms. There are a spread of Th–Ge bond distances ranging from 3.12–3.28 Å. There are two shorter (3.05 Å) and two longer (3.09 Å) Th–Si bond lengths. In the second Th site, Th is bonded in a 7-coordinate geometry to four equivalent Ge and three equivalent Si atoms. There are two shorter (3.07 Å) and two longer (3.09 Å) Th–Ge bond lengths. There are a spread of Th–Si bond distances ranging from 3.07–3.30 Å. Ge is bonded in a 9-coordinate geometry to seven Th and two equivalent Si atoms. Both Ge–Si bond lengths are 2.80 Å. Si is bonded in a 9-coordinate geometry to seven Th and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗