Materials Data on Cs2As2Pt by Materials Project

Abstract

Cs2PtAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to six equivalent As3- atoms. There are two shorter (3.77 Å) and four longer (3.91 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to six equivalent As3- atoms. There are two shorter (3.61 Å) and four longer (4.08 Å) Cs–As bond lengths. Pt4+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As3- atoms. All Pt–As bond lengths are 2.54 Å. As3- is bonded in a 9-coordinate geometry to six Cs1+, two equivalent Pt4+, and one As3- atom. The As–As bond length is 2.46 Å.