LiYSi crystallizes in the hexagonal P-62m space group. Li(1) is bonded to two equivalent Si(1) and two equivalent Si(2) atoms to form a mixture of distorted edge and corner-sharing LiSi4 tetrahedra. Y(1) is bonded in a 5-coordinate geometry to one Si(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Li(1) and three equivalent Y(1) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six equivalent Y(1) atoms.
LiYSi crystallizes in the hexagonal P-62m space group. Li(1) is bonded to two equivalent Si(1) and two equivalent Si(2) atoms to form a mixture of distorted edge and corner-sharing LiSi4 tetrahedra. Both Li(1)-Si(1) bond lengths are 2.77 Å. Both Li(1)-Si(2) bond lengths are 2.67 Å. Y(1) is bonded in a 5-coordinate geometry to one Si(2) and four equivalent Si(1) atoms. The Y(1)-Si(2) bond length is 2.99 Å. All Y(1)-Si(1) bond lengths are 2.97 Å. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Li(1) and three equivalent Y(1) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six equivalent Y(1) atoms.