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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PPd6 by Materials Project

Pd6P crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Pd6P clusters. there are six inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted single-bond geometry to one P atom. The Pd–P bond length is 2.29 Å. In the second Pd site, Pd is bonded in a 1-coordinate geometry to one P atom. The Pd–P bond length is 2.28 Å. In the third Pd site, Pd is bonded in a 1-coordinate geometry to one P atom. The Pd–P bond length is 2.30 Å. In the fourth Pd site, Pd is bonded in a distorted single-bond geometry to one P atom. The Pd–P bond length is 2.29 Å. In the fifth Pd site, Pd is bonded in a distorted single-bond geometry to one P atom. The Pd–P bond length is 2.28 Å. In the sixth Pd site, Pd is bonded in a 1-coordinate geometry to one P atom. The Pd–P bond length is 2.30 Å. P is bonded in a 6-coordinate geometry to six Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PPd3 by Materials Project

Pd3P is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to three equivalent P atoms. There are a spread of Pd–P bond distances ranging from 2.35–2.62 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent P atoms. There are one shorter (2.33 Å) and one longer (2.34 Å) Pd–P bond lengths. P is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P2Pd15 by Materials Project

Pd15P2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to two Pd and one P atom. There are one shorter (2.69 Å) and one longer (2.87 Å) Pd–Pd bond lengths. The Pd–P bond length is 2.29 Å. In the second Pd site, Pd is bonded in a 1-coordinate geometry to three Pd and one P atom. There are a spread of Pd–Pd bond distances ranging from 2.76–2.99 Å. The Pd–P bond length is 2.28 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to ten Pd atoms. The Pd–Pd bond length is 2.76 Å. In the fourth Pd site, Pd is bonded in a cuboctahedral geometry to twelve Pd atoms. P is bonded in a 6-coordinate geometry to six Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P2Pd by Materials Project

PdP2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pd4+ is bonded in a square co-planar geometry to four equivalent P2- atoms. All Pd–P bond lengths are 2.36 Å. P2- is bonded to two equivalent Pd4+ and two equivalent P2- atoms to form corner-sharing PP2Pd2 tetrahedra. There are one shorter (2.22 Å) and one longer (2.24 Å) P–P bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P3Pd7 by Materials Project

Pd7P3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are six inequivalent Pd sites. In the first Pd site, Pd is bonded in a 3-coordinate geometry to three P atoms. There are a spread of Pd–P bond distances ranging from 2.31–2.55 Å. In the second Pd site, Pd is bonded in a 3-coordinate geometry to three P atoms. There are a spread of Pd–P bond distances ranging from 2.33–2.55 Å. In the third Pd site, Pd is bonded in a 3-coordinate geometry to four P atoms. There are a spread of Pd–P bond distances ranging from 2.43–2.81 Å. In the fourth Pd site, Pd is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Pd–P bond distances ranging from 2.45–2.69 Å. In the fifth Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent P atoms. All Pd–P bond lengths are 2.36 Å. In the sixth Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent P atoms. All Pd–P bond lengths are 2.36 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to eight Pd atoms. In the second P site, P is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P3Pd by Materials Project

PdP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent P+0.67- atoms to form PdP6 octahedra that share corners with six equivalent PdP6 octahedra and corners with twelve equivalent PP2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 66°. All Pd–P bond lengths are 2.45 Å. P+0.67- is bonded to two equivalent Pd2+ and two equivalent P+0.67- atoms to form PP2Pd2 tetrahedra that share corners with four equivalent PdP6 octahedra, corners with ten equivalent PP2Pd2 tetrahedra, and an edgeedge with one PP2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. There are one shorter (2.22 Å) and one longer (2.23 Å) P–P bond lengths.

36 MATERIALS SCIENCE↗