Materials Data on Hf2Ga3Co by Materials Project

Abstract

Hf2CoGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to three equivalent Co and nine Ga atoms. There are two shorter (2.99 Å) and one longer (3.00 Å) Hf–Co bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.82–3.02 Å. In the second Hf site, Hf is bonded in a 11-coordinate geometry to three equivalent Co and nine Ga atoms. There are one shorter (2.81 Å) and two longer (2.91 Å) Hf–Co bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.84–3.25 Å. Co is bonded in a 10-coordinate geometry to six Hf and four Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.36–2.53 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Co, and three Ga atoms. There are two shorter (2.52 Å) and one longer (2.80 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, two equivalent Co, and two Ga atoms. The Ga–Ga bond length is 2.57 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Co, and three Ga atoms.