Materials Data on LiSi3Pd by Materials Project
LiPdSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Li is bonded in a 9-coordinate geometry to four equivalent Pd and five Si atoms. All Li–Pd bond lengths are 2.94 Å. There are one shorter (2.65 Å) and four longer (2.76 Å) Li–Si bond lengths. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Si atoms. All Pd–Si bond lengths are 2.60 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to two equivalent Li and six Si atoms. There are four shorter (2.42 Å) and two longer (2.61 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 5-coordinate geometry to one Li, four equivalent Pd, and four equivalent Si atoms.