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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm(GePd)2 by Materials Project

Sm(PdGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Sm–Pd bond lengths are 3.34 Å. All Sm–Ge bond lengths are 3.30 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.53 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3(Ge3Pd10)2 by Materials Project

Sm3(Pd10Ge3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to sixteen Pd atoms to form distorted SmPd16 tetrahedra that share edges with six equivalent SmPd16 tetrahedra, edges with twelve equivalent PdSmGe3Pd6 tetrahedra, faces with four equivalent SmPd12 cuboctahedra, and faces with four equivalent PdSmGe3Pd6 tetrahedra. There are four shorter (2.86 Å) and twelve longer (3.42 Å) Sm–Pd bond lengths. In the second Sm site, Sm is bonded to twelve equivalent Pd atoms to form SmPd12 cuboctahedra that share edges with twenty-four equivalent PdSmGe3Pd6 tetrahedra and faces with eight equivalent SmPd16 tetrahedra. All Sm–Pd bond lengths are 3.08 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Sm, six equivalent Pd, and three equivalent Ge atoms to form PdSmGe3Pd6 tetrahedra that share corners with three equivalent PdSmGe3Pd6 tetrahedra, edges with three equivalent SmPd12 cuboctahedra, edges with three equivalent SmPd16 tetrahedra, edges with three equivalent PdSmGe3Pd6 tetrahedra, a faceface with one SmPd16 tetrahedra, and faces with six equivalent PdSmGe3Pd6 tetrahedra. All Pd–Pd bond lengths are 3.08 Å. All Pd–Ge bond lengths are 2.53 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to three Sm, nine Pd, and two equivalent Ge atoms. There are one shorter (2.71 Å) and four longer (3.08 Å) Pd–Pd bond lengths. Both Pd–Ge bond lengths are 2.49 Å. Ge is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmGePd by Materials Project

SmPdGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Ge atoms. There are a spread of Sm–Pd bond distances ranging from 3.07–3.24 Å. There are a spread of Sm–Ge bond distances ranging from 3.12–3.31 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Sm, one Pd, and three equivalent Ge atoms. The Pd–Pd bond length is 2.89 Å. There are two shorter (2.55 Å) and one longer (2.87 Å) Pd–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Sm, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmGePd2 by Materials Project

SmPd2Ge is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ge atoms. There are a spread of Sm–Pd bond distances ranging from 3.06–3.20 Å. There are a spread of Sm–Ge bond distances ranging from 3.05–3.12 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Sm and three equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.55–2.69 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmGePd by Materials Project

SmPdGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Sm–Pd bond distances ranging from 3.05–3.18 Å. There are a spread of Sm–Ge bond distances ranging from 3.17–3.30 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Sm–Pd bond distances ranging from 3.21–3.28 Å. There are a spread of Sm–Ge bond distances ranging from 3.05–3.17 Å. In the third Sm site, Sm is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Sm–Pd bond distances ranging from 3.01–3.20 Å. There are a spread of Sm–Ge bond distances ranging from 3.12–3.27 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Sm, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.10 Å. There are one shorter (2.58 Å) and two longer (2.60 Å) Pd–Ge bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Sm, one Pd, and three equivalent Ge atoms. There are two shorter (2.59 Å) and one longer (2.64 Å) Pd–Ge bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Sm and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.60–2.94 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Sm and four Pd atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Sm, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.77 Å. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Sm, three Pd, and one Ge atom.

36 MATERIALS SCIENCE↗