Materials Data on KSeO2F by Materials Project

Abstract

KSeO2F crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- and one F1- atom to form distorted edge-sharing KO6F pentagonal bipyramids. There are four shorter (2.88 Å) and two longer (2.95 Å) K–O bond lengths. The K–F bond length is 2.91 Å. Se4+ is bonded in a trigonal non-coplanar geometry to two equivalent O2- and one F1- atom. Both Se–O bond lengths are 1.67 Å. The Se–F bond length is 1.94 Å. O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Se4+ atom. F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and one Se4+ atom.