Materials Data on Mg5(Si8Pd5)2 by Materials Project
(Mg)5(Pd5Si8)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of twenty magnesium molecules and one Pd5Si8 framework. In the Pd5Si8 framework, there are two inequivalent Pd+2.20+ sites. In the first Pd+2.20+ site, Pd+2.20+ is bonded in a trigonal planar geometry to three equivalent Si2- atoms. All Pd–Si bond lengths are 2.41 Å. In the second Pd+2.20+ site, Pd+2.20+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are two shorter (2.45 Å) and four longer (2.60 Å) Pd–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 6-coordinate geometry to three Pd+2.20+ and three equivalent Si2- atoms. There are one shorter (2.37 Å) and two longer (2.48 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a distorted trigonal planar geometry to three equivalent Pd+2.20+ atoms.