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4 records
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2020

Materials Data on Tm3(Si3Pd10)2 by Materials Project

Tm3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Tm–Pd bond lengths are 2.82 Å. In the second Tm site, Tm is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Tm–Pd bond lengths are 2.99 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Tm and three equivalent Si atoms to form a mixture of corner and edge-sharing PdTmSi3 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 Tm and two equivalent Si atoms. Both Pd–Si bond lengths are 2.42 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2Si3Pd by Materials Project

Tm2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing TmSi8Pd4 cuboctahedra. There are two shorter (2.99 Å) and two longer (3.16 Å) Tm–Pd bond lengths. There are four shorter (3.00 Å) and four longer (3.12 Å) Tm–Si bond lengths. In the second Tm site, Tm is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing TmSi12 cuboctahedra. There are six shorter (3.03 Å) and six longer (3.05 Å) Tm–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Tm and three equivalent Si atoms. All Pd–Si bond lengths are 2.39 Å. Si is bonded in a 1-coordinate geometry to six Tm, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.34 Å.

36 MATERIALS SCIENCE↗