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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y(SiRh)2 by Materials Project

YRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Y–Rh bond lengths are 3.23 Å. All Y–Si bond lengths are 3.13 Å. Rh is bonded to four equivalent Y and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing RhY4Si4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.44 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3(SiRh)2 by Materials Project

Y3(RhSi)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to four equivalent Rh and five Si atoms. There are a spread of Y–Rh bond distances ranging from 2.90–3.10 Å. There are a spread of Y–Si bond distances ranging from 2.96–3.40 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to four equivalent Rh and five Si atoms. There are two shorter (3.02 Å) and two longer (3.10 Å) Y–Rh bond lengths. There are a spread of Y–Si bond distances ranging from 2.97–3.28 Å. Rh is bonded in a 9-coordinate geometry to six Y and three Si atoms. There are a spread of Rh–Si bond distances ranging from 2.49–2.52 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Y and two equivalent Rh atoms. In the second Si site, Si is bonded in a 12-coordinate geometry to eight Y and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗