Materials Data on Cs2Pt by Materials Project

Cs2Pt crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a distorted trigonal planar geometry to five equivalent Pt2- atoms. There are three shorter (3.37 Å) and two longer (4.11 Å) Cs–Pt bond lengths. In the second Cs1+ site, Cs1+ is bonded to six equivalent Pt2- atoms to form a mixture of distorted edge, face, and corner-sharing CsPt6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Cs–Pt bond lengths are 3.95 Å. Pt2- is bonded in a 3-coordinate geometry to eleven Cs1+ atoms.