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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Eu(AlSi)2 by Materials Project

EuAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Si4- atoms to form EuSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent EuSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Eu–Si bond lengths are 3.07 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with six equivalent EuSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent EuSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–52°. There are three shorter (2.53 Å) and one longer (2.59 Å) Al–Si bond lengths. Si4- is bonded to three equivalent Eu2+ and four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SiEu3Al4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuAl3Si by Materials Project

EuAl3Si crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to twelve Al and four equivalent Si atoms. There are a spread of Eu–Al bond distances ranging from 3.32–3.50 Å. All Eu–Si bond lengths are 3.32 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to four equivalent Eu, two equivalent Al, and two equivalent Si atoms. Both Al–Al bond lengths are 2.63 Å. Both Al–Si bond lengths are 2.60 Å. In the second Al site, Al is bonded in a distorted single-bond geometry to four equivalent Eu, four equivalent Al, and one Si atom. The Al–Si bond length is 2.52 Å. Si is bonded in a 9-coordinate geometry to four equivalent Eu and five Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuAlSi by Materials Project

EuAlSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Eu is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of face and edge-sharing EuAl6Si6 cuboctahedra. All Eu–Al bond lengths are 3.32 Å. All Eu–Si bond lengths are 3.32 Å. Al is bonded in a distorted trigonal planar geometry to six equivalent Eu and three equivalent Si atoms. All Al–Si bond lengths are 2.45 Å. Si is bonded in a distorted trigonal planar geometry to six equivalent Eu and three equivalent Al atoms.

36 MATERIALS SCIENCE↗