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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 Li3Au by Materials Project

Li3Au 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 to four equivalent Li and four equivalent Au atoms to form a mixture of distorted edge, face, and corner-sharing LiLi4Au4 tetrahedra. All Li–Li bond lengths are 2.73 Å. All Li–Au bond lengths are 2.73 Å. In the second Li site, Li is bonded in a 6-coordinate geometry to eight equivalent Li and six equivalent Au atoms. All Li–Au bond lengths are 3.15 Å. Au is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAu3 by Materials Project

LiAu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to twelve equivalent Au+0.33- atoms to form a mixture of face and corner-sharing LiAu12 cuboctahedra. All Li–Au bond lengths are 2.88 Å. Au+0.33- is bonded in a distorted square co-planar geometry to four equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAu3 by Materials Project

LiAu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded to twelve Au+0.33- atoms to form a mixture of corner, edge, and face-sharing LiAu12 cuboctahedra. There are four shorter (2.84 Å) and eight longer (2.91 Å) Li–Au bond lengths. There are two inequivalent Au+0.33- sites. In the first Au+0.33- site, Au+0.33- is bonded to four equivalent Li1+ atoms to form a mixture of distorted corner and edge-sharing AuLi4 cuboctahedra. In the second Au+0.33- site, Au+0.33- is bonded in a square co-planar geometry to four equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAu by Materials Project

LiAu is alpha-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded in a distorted hexagonal planar geometry to six equivalent Au1- atoms. All Li–Au bond lengths are 2.73 Å. Au1- is bonded in a 6-coordinate geometry to six equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3Au by Materials Project

Li3Au is alpha bismuth trifluoride structured and crystallizes in the orthorhombic Fmmm 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 Au atoms. All Li–Au bond lengths are 2.78 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Au atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Li–Au bond lengths. Au is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing AuLi12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAu by Materials Project

LiAu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to eight equivalent Au1- atoms. All Li–Au bond lengths are 2.72 Å. Au1- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAu3 by Materials Project

LiAu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded to twelve equivalent Au+0.33- atoms to form a mixture of face and corner-sharing LiAu12 cuboctahedra. There are six shorter (2.84 Å) and six longer (2.93 Å) Li–Au bond lengths. Au+0.33- is bonded in a distorted see-saw-like geometry to four equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗