Materials Data on La(SiPt)2 by Materials Project

Abstract

LaPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La2+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.25 Å) and four longer (3.30 Å) La–Si bond lengths. There are two inequivalent Pt3+ sites. In the first Pt3+ site, Pt3+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.52 Å. In the second Pt3+ site, Pt3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are four shorter (2.47 Å) and one longer (2.48 Å) Pt–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent La2+ and four equivalent Pt3+ atoms. In the second Si4- site, Si4- is bonded in a 5-coordinate geometry to four equivalent La2+ and five Pt3+ atoms.