DOE OSTI2020
GdMgIn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four In atoms to form a mixture of distorted edge and corner-sharing MgIn4 tetrahedra. There are two shorter (2.96 Å) and two longer (3.01 Å) Mg–In bond lengths. In the second Mg site, Mg is bonded to four In atoms to form a mixture of distorted edge and corner-sharing MgIn4 tetrahedra. There are two shorter (2.95 Å) and two longer (3.00 Å) Mg–In bond lengths. There are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 5-coordinate geometry to five In atoms. There are four shorter (3.27 Å) and one longer (3.31 Å) Gd–In bond lengths. In the second Gd site, Gd is bonded in a 5-coordinate geometry to five In atoms. There are a spread of Gd–In bond distances ranging from 3.27–3.31 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to three Mg and six Gd atoms. In the second In site, In is bonded in a 9-coordinate geometry to six Mg and three Gd atoms.