Materials Data on Cd(HO)2 by Materials Project

Abstract

Cd(OH)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Cd2+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing CdO5 trigonal bipyramids. There are a spread of Cd–O bond distances ranging from 2.29–2.35 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.07 Å) and one longer (1.52 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cd2+ and one H1+ atom. In the second O2- site, O2- is bonded in a water-like geometry to two H1+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Cd2+ and one H1+ atom.