Materials Data on MgInBr3 by Materials Project
MgInBr3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two MgInBr3 ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded to six Br1- atoms to form edge-sharing MgBr6 octahedra. There are a spread of Mg–Br bond distances ranging from 2.63–2.76 Å. In1+ is bonded in a 2-coordinate geometry to three Br1- atoms. There are two shorter (3.21 Å) and one longer (3.41 Å) In–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Mg2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mg2+ and one In1+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to one Mg2+ and two equivalent In1+ atoms.