Materials Data on Ho(MnGa)6 by Materials Project

Abstract

Ho(MnGa)6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight Mn and twelve Ga atoms. There are four shorter (3.17 Å) and four longer (3.36 Å) Ho–Mn bond lengths. There are eight shorter (3.23 Å) and four longer (3.41 Å) Ho–Ga bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ho, six Mn, and four equivalent Ga atoms. There are two shorter (2.41 Å) and four longer (2.69 Å) Mn–Mn bond lengths. All Mn–Ga bond lengths are 2.47 Å. In the second Mn site, Mn is bonded in a 10-coordinate geometry to one Ho, seven Mn, and six Ga atoms. There are a spread of Mn–Mn bond distances ranging from 2.61–3.08 Å. There are a spread of Mn–Ga bond distances ranging from 2.57–2.76 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Ho, four equivalent Mn, and six Ga atoms to form a mixture of distorted face and corner-sharing GaHo2Mn4Ga6 cuboctahedra. There are two shorter (2.41 Å) and four longer (2.62 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho, six Mn, and two equivalent Ga atoms.