Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “U(SiAu)2”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on U(SiAu)2 by Materials Project

UAu2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.27 Å) and four longer (3.32 Å) U–Si bond lengths. There are two inequivalent Au1+ sites. In the first Au1+ site, Au1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing AuSi4 tetrahedra. All Au–Si bond lengths are 2.57 Å. In the second Au1+ site, Au1+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.41 Å) and four longer (2.51 Å) Au–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent U6+ and four equivalent Au1+ atoms to form a mixture of distorted face and edge-sharing SiU4Au4 tetrahedra. In the second Si4- site, Si4- is bonded in a 5-coordinate geometry to four equivalent U6+ and five Au1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(SiAu)2 by Materials Project

UAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U6+ is bonded to eight equivalent Si4- atoms to form USi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent USi8 hexagonal bipyramids. All U–Si bond lengths are 3.18 Å. Au1+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.58 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U6+, four equivalent Au1+, and one Si4- atom. The Si–Si bond length is 2.30 Å.

36 MATERIALS SCIENCE↗