Materials Data on SrHf2Mo by Materials Project

Abstract

SrHf2Mo crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to four equivalent Hf and four equivalent Mo atoms. All Sr–Hf bond lengths are 3.11 Å. All Sr–Mo bond lengths are 3.11 Å. There are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 4-coordinate geometry to four equivalent Sr, four equivalent Hf, and six equivalent Mo atoms. All Hf–Hf bond lengths are 3.11 Å. All Hf–Mo bond lengths are 3.59 Å. In the second Hf site, Hf is bonded to four equivalent Hf and four equivalent Mo atoms to form distorted edge-sharing HfHf4Mo4 tetrahedra. All Hf–Mo bond lengths are 3.11 Å. Mo is bonded in a distorted body-centered cubic geometry to four equivalent Sr and ten Hf atoms.