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DOE OSTI2020

Materials Data on EuSi6 by Materials Project

EuSi6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eighteen Si atoms. There are a spread of Eu–Si bond distances ranging from 3.12–3.51 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Eu and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.37–2.44 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to three equivalent Eu and four Si atoms. All Si–Si bond lengths are 2.41 Å. In the third Si site, Si is bonded in a 4-coordinate geometry to three equivalent Eu and four Si atoms. The Si–Si bond length is 2.41 Å.

36 MATERIALS SCIENCE↗

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 EuZnSi by Materials Project

EuZnSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Si4- atoms to form a mixture of edge, corner, and face-sharing EuSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Eu–Si bond lengths are 3.23 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Zn–Si bond lengths are 2.45 Å. Si4- is bonded in a distorted trigonal planar geometry to six equivalent Eu2+ and three equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗