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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Dy(SiPd)2 by Materials Project

DyPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Si atoms. All Dy–Pd bond lengths are 3.25 Å. All Dy–Si bond lengths are 3.16 Å. Pd is bonded to four equivalent Dy and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing PdDy4Si4 tetrahedra. All Pd–Si bond lengths are 2.47 Å. Si is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Pd, and one Si atom. The Si–Si bond length is 2.32 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Si3Pd by Materials Project

Dy2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing DySi8Pd4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.20 Å) Dy–Pd bond lengths. There are four shorter (3.04 Å) and four longer (3.15 Å) Dy–Si bond lengths. In the second Dy site, Dy is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing DySi12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) Dy–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Dy and three equivalent Si atoms. All Pd–Si bond lengths are 2.41 Å. Si is bonded in a 1-coordinate geometry to six Dy, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySiPd2 by Materials Project

DyPd2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Si atoms. There are a spread of Dy–Pd bond distances ranging from 2.97–3.52 Å. There are a spread of Dy–Si bond distances ranging from 2.98–3.02 Å. Pd is bonded in a 12-coordinate geometry to five equivalent Dy, four equivalent Pd, and three equivalent Si atoms. There are a spread of Pd–Pd bond distances ranging from 2.77–3.05 Å. There are a spread of Pd–Si bond distances ranging from 2.49–2.62 Å. Si is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3(Si3Pd10)2 by Materials Project

Dy3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Dy–Pd bond lengths are 2.85 Å. In the second Dy site, Dy is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Dy–Pd bond lengths are 3.01 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Dy and three equivalent Si atoms to form a mixture of edge and corner-sharing PdDySi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Dy 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↗