Materials Data on HfSiPd by Materials Project

Abstract

HfPdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent Si atoms. There are a spread of Hf–Pd bond distances ranging from 2.99–3.14 Å. There are a spread of Hf–Si bond distances ranging from 2.74–2.83 Å. Pd is bonded in a 12-coordinate geometry to six equivalent Hf, two equivalent Pd, and four equivalent Si atoms. Both Pd–Pd bond lengths are 2.87 Å. There are a spread of Pd–Si bond distances ranging from 2.49–2.59 Å. Si is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Pd atoms.