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DOE OSTI2020

Materials Data on YSiRu by Materials Project

YRuSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to four equivalent Ru and five equivalent Si atoms. There are a spread of Y–Ru bond distances ranging from 2.96–2.98 Å. There are two shorter (3.00 Å) and three longer (3.04 Å) Y–Si bond lengths. Ru is bonded in a 8-coordinate geometry to four equivalent Y and four equivalent Si atoms. There are a spread of Ru–Si bond distances ranging from 2.47–2.58 Å. Si is bonded in a 10-coordinate geometry to five equivalent Y and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Y(SiRu)2 by Materials Project

YRu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Y–Si bond lengths are 3.22 Å. Ru+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.38 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Ru+2.50+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YSi2Ru3 by Materials Project

YRu3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to twelve equivalent Ru and six equivalent Si atoms. All Y–Ru bond lengths are 3.33 Å. All Y–Si bond lengths are 3.22 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Y and four equivalent Si atoms. All Ru–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗