Materials Data on K3H5Pt by Materials Project

Abstract

K3PtH5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a linear geometry to two equivalent H+0.20- atoms. Both K–H bond lengths are 2.89 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight H+0.20- atoms. There are a spread of K–H bond distances ranging from 2.72–2.87 Å. Pt2- is bonded in a square co-planar geometry to four equivalent H+0.20- atoms. All Pt–H bond lengths are 1.66 Å. There are two inequivalent H+0.20- sites. In the first H+0.20- site, H+0.20- is bonded to six K1+ atoms to form corner-sharing HK6 octahedra. The corner-sharing octahedra tilt angles range from 0–29°. In the second H+0.20- site, H+0.20- is bonded in a rectangular see-saw-like geometry to three equivalent K1+ and one Pt2- atom.