Materials Data on SrH2O3 by Materials Project

Abstract

SrH2O3 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.68 Å. H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Sr and two equivalent H atoms. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr and two equivalent H atoms. In the third O site, O is bonded in a rectangular see-saw-like geometry to four equivalent Sr atoms.