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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb(SiPd)2 by Materials Project

YbPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent Si4- atoms to form YbSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent YbSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent YbSi8 hexagonal bipyramids. All Yb–Si bond lengths are 3.21 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent YbSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent YbSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.47 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Yb2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.36 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSiPd2 by Materials Project

YbPd2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 2-coordinate geometry to ten equivalent Pd and three equivalent Si atoms. There are a spread of Yb–Pd bond distances ranging from 2.91–3.43 Å. There are a spread of Yb–Si bond distances ranging from 2.97–3.00 Å. Pd is bonded in a 12-coordinate geometry to five equivalent Yb, four equivalent Pd, and three equivalent Si atoms. There are a spread of Pd–Pd bond distances ranging from 2.74–3.10 Å. There are a spread of Pd–Si bond distances ranging from 2.49–2.56 Å. Si is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3(Si3Pd10)2 by Materials Project

Yb3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Yb–Pd bond lengths are 2.83 Å. In the second Yb site, Yb is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Yb–Pd bond lengths are 2.98 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Yb and three equivalent Si atoms to form a mixture of edge and corner-sharing PdYbSi3 tetrahedra. All Pd–Si bond lengths are 2.47 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Yb and two equivalent Si atoms. Both Pd–Si bond lengths are 2.43 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSiPd by Materials Project

YbPdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded in a 5-coordinate geometry to six equivalent Si4- atoms. There are a spread of Yb–Si bond distances ranging from 3.03–3.30 Å. Pd2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing PdSi4 tetrahedra. There are a spread of Pd–Si bond distances ranging from 2.52–2.57 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Yb2+ and four equivalent Pd2+ atoms.

36 MATERIALS SCIENCE↗