Materials Data on Hf7Ni10 by Materials Project

Abstract

Hf7Ni10 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are five inequivalent Hf sites. In the first Hf site, Hf is bonded in a body-centered cubic geometry to eight Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.59–2.62 Å. In the second Hf site, Hf is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.72–2.76 Å. In the third Hf site, Hf is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.71–2.76 Å. In the fourth Hf site, Hf is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.60–2.71 Å. In the fifth Hf site, Hf is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.65–2.79 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to six Hf and one Ni atom. The Ni–Ni bond length is 2.62 Å. In the second Ni site, Ni is bonded in a 6-coordinate geometry to six Hf and one Ni atom. The Ni–Ni bond length is 2.61 Å. In the third Ni site, Ni is bonded in a 6-coordinate geometry to six Hf and one Ni atom. The Ni–Ni bond length is 2.59 Å. In the fourth Ni site, Ni is bonded in a 1-coordinate geometry to five Hf and five Ni atoms. There are one shorter (2.61 Å) and one longer (2.75 Å) Ni–Ni bond lengths. In the fifth Ni site, Ni is bonded in a 11-coordinate geometry to six Hf and one Ni atom.