Materials Data on ZnSeO10 by Materials Project

Abstract

ZnSeO10 crystallizes in the tetragonal P4_12_12 space group. The structure is one-dimensional and consists of two ZnSeO10 ribbons oriented in the (0, 0, 1) direction. Zn is bonded in a distorted see-saw-like geometry to four O atoms. There are two shorter (1.86 Å) and two longer (2.37 Å) Zn–O bond lengths. Se is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.62 Å) and two longer (1.90 Å) Se–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Zn and one O atom. In the third O site, O is bonded in a distorted water-like geometry to one Zn and one O atom. The O–O bond length is 1.45 Å. In the fourth O site, O is bonded in a distorted water-like geometry to one Se and one O atom. In the fifth O site, O is bonded in a single-bond geometry to one Se atom.