YRh2Si crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to one Y(2) and nine equivalent Rh(1) atoms. In the second Y site, Y(2) is bonded in a 20-coordinate geometry to two equivalent Y(1), twelve equivalent Rh(1), three equivalent Si(1), and three equivalent Si(3) atoms. In the third Y site, Y(1) is bonded in a 9-coordinate geometry to one Y(2) and nine equivalent Rh(1) atoms. Rh(1) is bonded in a 12-coordinate geometry to two equivalent Y(2), three equivalent Y(1), four equivalent Rh(1), one Si(1), one Si(2), and one Si(3) atom. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Rh(1) atoms. In the second Si site, Si(2) is bonded in a distorted cuboctahedral geometry to six equivalent Rh(1) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Rh(1) atoms.
YRh2Si crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to one Y(2) and nine equivalent Rh(1) atoms. The Y(1)-Y(2) bond length is 3.21 Å. There are three shorter (2.99 Å) and six longer (3.11 Å) Y(1)-Rh(1) bond lengths. In the second Y site, Y(2) is bonded in a 20-coordinate geometry to two equivalent Y(1), twelve equivalent Rh(1), three equivalent Si(1), and three equivalent Si(3) atoms. All Y(2)-Rh(1) bond lengths are 3.29 Å. All Y(2)-Si(1) bond lengths are 3.19 Å. All Y(2)-Si(3) bond lengths are 3.19 Å. In the third Y site, Y(1) is bonded in a 9-coordinate geometry to one Y(2) and nine equivalent Rh(1) atoms. The Y(1)-Y(2) bond length is 3.21 Å. There are three shorter (2.99 Å) and six longer (3.11 Å) Y(1)-Rh(1) bond lengths. Rh(1) is bonded in a 12-coordinate geometry to two equivalent Y(2), three equivalent Y(1), four equivalent Rh(1), one Si(1), one Si(2), and one Si(3) atom. There are two shorter (2.76 Å) and two longer (2.77 Å) Rh(1)-Rh(1) bond lengths. The Rh(1)-Si(1) bond length is 2.39 Å. The Rh(1)-Si(2) bond length is 2.53 Å. The Rh(1)-Si(3) bond length is 2.39 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Rh(1) atoms. In the second Si site, Si(2) is bonded in a distorted cuboctahedral geometry to six equivalent Rh(1) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Rh(1) atoms.