Materials Data on Si3MoPt2 by Materials Project
MoPt2Si3 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Mo4+ is bonded in a 7-coordinate geometry to seven Si+1.33- atoms. There are a spread of Mo–Si bond distances ranging from 2.54–2.62 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to five Si+1.33- atoms to form distorted edge-sharing PtSi5 trigonal bipyramids. There are a spread of Pt–Si bond distances ranging from 2.41–2.55 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to six Si+1.33- atoms. There are a spread of Pt–Si bond distances ranging from 2.44–2.74 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 6-coordinate geometry to four equivalent Mo4+ and two equivalent Pt atoms. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to two equivalent Mo4+ and four Pt atoms. In the third Si+1.33- site, Si+1.33- is bonded in a 6-coordinate geometry to one Mo4+ and five Pt atoms.