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DOE OSTI2020

Materials Data on Tm(SiPd)2 by Materials Project

Tm(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Si atoms. All Tm–Pd bond lengths are 3.24 Å. All Tm–Si bond lengths are 3.14 Å. Pd is bonded to four equivalent Tm and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing PdTm4Si4 tetrahedra. All Pd–Si bond lengths are 2.46 Å. Si is bonded in a 9-coordinate geometry to four equivalent Tm, four equivalent Pd, and one Si atom. The Si–Si bond length is 2.30 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TmSiPd2 by Materials Project

TmPd2Si is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Si atoms. There are a spread of Tm–Pd bond distances ranging from 2.96–3.18 Å. There are two shorter (2.96 Å) and one longer (3.00 Å) Tm–Si bond lengths. Pd is bonded in a 12-coordinate geometry to four equivalent Tm and three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.48–2.61 Å. Si is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗