Materials Data on SrMgIn3 by Materials Project
SrMgIn3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to twelve In atoms. There are eight shorter (3.64 Å) and four longer (3.99 Å) Sr–In bond lengths. Mg is bonded in a 4-coordinate geometry to eight In atoms. There are four shorter (2.97 Å) and four longer (3.35 Å) Mg–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to four equivalent Sr, two equivalent Mg, and three In atoms. There are one shorter (2.86 Å) and two longer (2.97 Å) In–In bond lengths. In the second In site, In is bonded to four equivalent Sr, four equivalent Mg, and four equivalent In atoms to form a mixture of distorted corner and face-sharing InSr4Mg4In4 cuboctahedra.