Materials Data on Sr2H6Pt by Materials Project

Abstract

Sr2PtH6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve H+0.33- atoms. There are a spread of Sr–H bond distances ranging from 2.45–2.88 Å. Pt2- is bonded to six H+0.33- atoms to form distorted corner-sharing PtH6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Pt–H bond distances ranging from 1.67–2.29 Å. There are three inequivalent H+0.33- sites. In the first H+0.33- site, H+0.33- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one Pt2- atom. In the second H+0.33- site, H+0.33- is bonded to four equivalent Sr2+ atoms to form a mixture of corner and edge-sharing HSr4 tetrahedra. In the third H+0.33- site, H+0.33- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and two equivalent Pt2- atoms.