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All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2020

Materials Data on EuGaSi by Materials Project

EuGaSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing EuSi6 pentagonal pyramids. All Eu–Si bond lengths are 3.29 Å. Ga2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ga–Si bond lengths are 2.41 Å. Si4- is bonded in a 3-coordinate geometry to six equivalent Eu2+ and three equivalent Ga2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu5Si3H by Materials Project

Eu5Si3H crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Eu+2.20+ sites. In the first Eu+2.20+ site, Eu+2.20+ is bonded to six Si4- atoms to form corner-sharing EuSi6 octahedra. The corner-sharing octahedra tilt angles range from 0–59°. There are four shorter (3.13 Å) and two longer (3.61 Å) Eu–Si bond lengths. In the second Eu+2.20+ site, Eu+2.20+ is bonded in a distorted single-bond geometry to five Si4- and one H1+ atom. There are a spread of Eu–Si bond distances ranging from 3.10–3.22 Å. The Eu–H bond length is 2.38 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to ten Eu+2.20+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Eu+2.20+ and one Si4- atom. The Si–Si bond length is 2.40 Å. H1+ is bonded in a tetrahedral geometry to four equivalent Eu+2.20+ atoms.

36 MATERIALS SCIENCE↗