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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tm3(GePd)4 by Materials Project

Tm3(PdGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to six equivalent Pd and six Ge atoms. There are four shorter (3.04 Å) and two longer (3.12 Å) Tm–Pd bond lengths. There are two shorter (3.00 Å) and four longer (3.02 Å) Tm–Ge bond lengths. In the second Tm site, Tm is bonded to six Ge atoms to form distorted edge-sharing TmGe6 octahedra. All Tm–Ge bond lengths are 3.03 Å. Pd is bonded in a 12-coordinate geometry to three equivalent Tm and four Ge atoms. There are one shorter (2.55 Å) and three longer (2.59 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, two equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.67 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Tm and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGePd by Materials Project

TmPdGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.10 Å) and four longer (3.11 Å) Tm–Pd bond lengths. There are four shorter (3.07 Å) and two longer (3.18 Å) Tm–Ge bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Tm–Pd bond distances ranging from 2.92–3.21 Å. There are a spread of Tm–Ge bond distances ranging from 3.03–3.26 Å. In the third Tm site, Tm is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.18 Å) and four longer (3.24 Å) Tm–Pd bond lengths. There are two shorter (2.96 Å) and four longer (3.00 Å) Tm–Ge bond lengths. In the fourth Tm site, Tm is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Tm–Pd bond distances ranging from 3.04–3.11 Å. There are a spread of Tm–Ge bond distances ranging from 3.07–3.25 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Tm, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.01 Å. There are two shorter (2.55 Å) and one longer (2.57 Å) Pd–Ge bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Tm and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.56–2.87 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Tm and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.56–2.73 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Tm and four Pd atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Tm and four Pd atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Tm, three Pd, and one Ge atom. The Ge–Ge bond length is 2.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGePd2 by Materials Project

TmPd2Ge 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 Ge atoms. There are a spread of Tm–Pd bond distances ranging from 3.03–3.13 Å. There are a spread of Tm–Ge bond distances ranging from 2.96–3.03 Å. Pd is bonded in a 7-coordinate geometry to four equivalent Tm and three equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.52–2.65 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗