Materials Data on K2Se4O by Materials Project

Abstract

K2Se4O crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two K2Se4O sheets oriented in the (0, 0, 1) direction. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted single-bond geometry to two equivalent Se and one O2- atom. There are one shorter (3.29 Å) and one longer (3.34 Å) K–Se bond lengths. The K–O bond length is 2.73 Å. In the second K1+ site, K1+ is bonded in a distorted single-bond geometry to two equivalent Se and one O2- atom. There are one shorter (3.30 Å) and one longer (3.31 Å) K–Se bond lengths. The K–O bond length is 2.60 Å. There are four inequivalent Se sites. In the first Se site, Se is bonded in a water-like geometry to two Se atoms. There are one shorter (2.39 Å) and one longer (2.45 Å) Se–Se bond lengths. In the second Se site, Se is bonded in a water-like geometry to two Se atoms. The Se–Se bond length is 2.39 Å. In the third Se site, Se is bonded in a 5-coordinate geometry to four K1+ and one Se atom. In the fourth Se site, Se is bonded in a single-bond geometry to one Se and one O2- atom. The Se–O bond length is 1.75 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Se atom.