DOE OSTI2020
HoMnGa crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are a spread of Ho–Mn bond distances ranging from 2.93–3.25 Å. There are a spread of Ho–Ga bond distances ranging from 2.92–3.26 Å. In the second Ho site, Ho is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are a spread of Ho–Mn bond distances ranging from 2.90–3.12 Å. There are a spread of Ho–Ga bond distances ranging from 3.03–3.33 Å. In the third Ho site, Ho is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are a spread of Ho–Mn bond distances ranging from 2.92–3.22 Å. There are a spread of Ho–Ga bond distances ranging from 2.94–3.20 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to six Ho, one Mn, and two equivalent Ga atoms. The Mn–Mn bond length is 2.77 Å. There are one shorter (2.71 Å) and one longer (2.72 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded to six Ho, two equivalent Mn, and four Ga atoms to form distorted face-sharing MnHo6Mn2Ga4 cuboctahedra. There are two shorter (2.60 Å) and two longer (3.05 Å) Mn–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Ho, two equivalent Mn, and four equivalent Ga atoms. There are two shorter (2.70 Å) and two longer (2.71 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to six Ho, three Mn, and two equivalent Ga atoms.