Materials Data on K3(SeO4)2 by Materials Project

Abstract

K3(SeO4)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one K3(SeO4)2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent K sites. In the first K site, K is bonded in a distorted single-bond geometry to one O atom. The K–O bond length is 2.58 Å. In the second K site, K is bonded to six equivalent O atoms to form KO6 octahedra that share corners with six equivalent SeO4 tetrahedra. All K–O bond lengths are 2.64 Å. Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with three equivalent KO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There is one shorter (1.66 Å) and three longer (1.68 Å) Se–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one K and one Se atom. In the second O site, O is bonded in a linear geometry to one K and one Se atom.