Materials Data on K2PtI5O2 by Materials Project

Abstract

K2PtO2I5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. K is bonded in a distorted bent 120 degrees geometry to two equivalent O and two I atoms. There are one shorter (2.68 Å) and one longer (2.70 Å) K–O bond lengths. There are one shorter (3.70 Å) and one longer (3.76 Å) K–I bond lengths. Pt is bonded to six I atoms to form corner-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Pt–I bond distances ranging from 2.67–2.92 Å. O is bonded in a trigonal non-coplanar geometry to two equivalent K and one I atom. The O–I bond length is 1.90 Å. There are four inequivalent I sites. In the first I site, I is bonded in a 1-coordinate geometry to one Pt and one O atom. In the second I site, I is bonded in a 3-coordinate geometry to two equivalent K and one Pt atom. In the third I site, I is bonded in a distorted single-bond geometry to one Pt atom. In the fourth I site, I is bonded in a rectangular see-saw-like geometry to two equivalent K and two equivalent Pt atoms.