Materials Data on H8PtO6 by Materials Project

Abstract

H2Pt(OH)6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Pt4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Pt–O bond distances ranging from 2.02–2.05 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.07 Å) and one longer (1.47 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.02 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.11 Å) and one longer (1.39 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the seventh H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the eighth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.57 Å) H–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Pt4+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Pt4+ and two H1+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Pt4+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Pt4+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Pt4+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Pt4+ and one H1+ atom.