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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on USiPd by Materials Project

UPdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent Si atoms. There are a spread of U–Pd bond distances ranging from 3.05–3.25 Å. There are a spread of U–Si bond distances ranging from 2.94–3.01 Å. Pd is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.53–2.64 Å. Si is bonded in a 9-coordinate geometry to five equivalent U and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(SiPd)2 by Materials Project

UPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded to eight equivalent Si4- atoms to form USi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent USi8 hexagonal bipyramids. All U–Si bond lengths are 3.09 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.49 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U4+, four equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.30 Å.

36 MATERIALS SCIENCE↗