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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ho(SiPd)2 by Materials Project

HoPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Si atoms. All Ho–Pd bond lengths are 3.25 Å. All Ho–Si bond lengths are 3.14 Å. Pd is bonded to four equivalent Ho and four equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing PdHo4Si4 tetrahedra. All Pd–Si bond lengths are 2.47 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ho, four equivalent Pd, and one Si atom. The Si–Si bond length is 2.31 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3(Si3Pd10)2 by Materials Project

Ho3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Ho–Pd bond lengths are 2.83 Å. In the second Ho site, Ho is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Ho–Pd bond lengths are 3.00 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Ho and three equivalent Si atoms to form a mixture of corner and edge-sharing PdHoSi3 tetrahedra. All Pd–Si bond lengths are 2.48 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Ho 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 Ho2Si3Pd by Materials Project

Ho2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing HoSi8Pd4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.18 Å) Ho–Pd bond lengths. There are four shorter (3.03 Å) and four longer (3.13 Å) Ho–Si bond lengths. In the second Ho site, Ho is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing HoSi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.08 Å) Ho–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent Si atoms. All Pd–Si bond lengths are 2.41 Å. Si is bonded in a 1-coordinate geometry to six Ho, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoSiPd2 by Materials Project

HoPd2Si is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Si atoms. There are a spread of Ho–Pd bond distances ranging from 2.96–3.53 Å. There are two shorter (2.98 Å) and one longer (3.03 Å) Ho–Si bond lengths. Pd is bonded in a 12-coordinate geometry to five equivalent Ho, four equivalent Pd, and three equivalent Si atoms. There are a spread of Pd–Pd bond distances ranging from 2.78–3.05 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 Ho and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗