Materials Data on Ho6GaNi2 by Materials Project

Abstract

Ho6Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two Ni and two Ga atoms. There are one shorter (2.77 Å) and one longer (3.17 Å) Ho–Ni bond lengths. There are one shorter (2.99 Å) and one longer (3.21 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded in a 4-coordinate geometry to three Ni and one Ga atom. There are one shorter (2.69 Å) and two longer (2.86 Å) Ho–Ni bond lengths. The Ho–Ga bond length is 3.33 Å. In the third Ho site, Ho is bonded in a 5-coordinate geometry to three Ni and two Ga atoms. There are two shorter (2.91 Å) and one longer (3.12 Å) Ho–Ni bond lengths. There are one shorter (3.15 Å) and one longer (3.62 Å) Ho–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Ho and one Ni atom. The Ni–Ni bond length is 2.66 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to eight Ho and one Ni atom. The Ni–Ni bond length is 2.39 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight Ho atoms. In the second Ga site, Ga is bonded in a cuboctahedral geometry to twelve Ho atoms.