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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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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li3Pd by Materials Project

Li3Pd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pd atoms. All Li–Li bond lengths are 2.68 Å. All Li–Pd bond lengths are 3.09 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Pd atoms to form a mixture of distorted corner, edge, and face-sharing LiLi4Pd4 tetrahedra. All Li–Pd bond lengths are 2.68 Å. Pd is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPd by Materials Project

PdLi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Li–Pd bond lengths are 2.60 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPd by Materials Project

PdLi is alpha-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li is bonded in a 12-coordinate geometry to six equivalent Pd atoms. All Li–Pd bond lengths are 2.65 Å. Pd is bonded in a 12-coordinate geometry to six equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2Pd by Materials Project

Li2Pd crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Li is bonded in a 11-coordinate geometry to five equivalent Li and six equivalent Pd atoms. There are three shorter (2.44 Å) and two longer (2.74 Å) Li–Li bond lengths. All Li–Pd bond lengths are 2.80 Å. Pd is bonded to twelve equivalent Li and two equivalent Pd atoms to form a mixture of distorted edge, face, and corner-sharing PdLi12Pd2 cuboctahedra. Both Pd–Pd bond lengths are 2.74 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3Pd by Materials Project

Li3Pd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to four equivalent Li and four equivalent Pd atoms. All Li–Li bond lengths are 2.74 Å. All Li–Pd bond lengths are 2.74 Å. In the second Li site, Li is bonded to eight equivalent Li and four equivalent Pd atoms to form distorted LiLi8Pd4 cuboctahedra that share corners with four equivalent LiLi8Pd4 cuboctahedra, corners with eight equivalent PdLi12 cuboctahedra, edges with eight equivalent LiLi8Pd4 cuboctahedra, faces with four equivalent LiLi8Pd4 cuboctahedra, and faces with six equivalent PdLi12 cuboctahedra. All Li–Pd bond lengths are 2.80 Å. Pd is bonded to twelve Li atoms to form PdLi12 cuboctahedra that share corners with four equivalent PdLi12 cuboctahedra, corners with eight equivalent LiLi8Pd4 cuboctahedra, edges with eight equivalent PdLi12 cuboctahedra, faces with four equivalent PdLi12 cuboctahedra, and faces with six equivalent LiLi8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li15Pd4 by Materials Project

Li15Pd4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight equivalent Li and four equivalent Pd atoms to form distorted LiLi8Pd4 cuboctahedra that share corners with eight equivalent PdLi12 cuboctahedra, edges with eight equivalent LiLi8Pd4 cuboctahedra, and faces with four equivalent PdLi12 cuboctahedra. There are four shorter (2.73 Å) and four longer (2.81 Å) Li–Li bond lengths. All Li–Pd bond lengths are 2.87 Å. In the second Li site, Li is bonded in a 3-coordinate geometry to two equivalent Li and three equivalent Pd atoms. There are a spread of Li–Pd bond distances ranging from 2.63–2.82 Å. Pd is bonded to twelve Li atoms to form distorted PdLi12 cuboctahedra that share corners with six equivalent LiLi8Pd4 cuboctahedra, edges with six equivalent PdLi12 cuboctahedra, faces with three equivalent LiLi8Pd4 cuboctahedra, and faces with five equivalent PdLi12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPd7 by Materials Project

Pd7Li crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Pd atoms to form LiPd12 cuboctahedra that share corners with twelve equivalent LiPd12 cuboctahedra and faces with six equivalent PdPd12 cuboctahedra. All Li–Pd bond lengths are 2.77 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to twelve equivalent Pd atoms to form PdPd12 cuboctahedra that share corners with twelve equivalent PdPd12 cuboctahedra and faces with six equivalent LiPd12 cuboctahedra. All Pd–Pd bond lengths are 2.77 Å. In the second Pd site, Pd is bonded in a distorted linear geometry to two equivalent Li and two equivalent Pd atoms.

36 MATERIALS SCIENCE↗