Materials Data on CdHSeNO6 by Materials Project

Abstract

CdHSeO4NO2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight nitrous acid molecules and two CdHSeO4 sheets oriented in the (0, 0, 1) direction. In each CdHSeO4 sheet, Cd2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cd–O bond distances ranging from 2.28–2.91 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. Se4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–2.19 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cd2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+, one H1+, and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd2+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cd2+ and one Se4+ atom.