Materials Data on InGaBr4 by Materials Project
InGaBr4 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two InGaBr4 ribbons oriented in the (1, 0, 1) direction. there are two inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are two shorter (3.42 Å) and two longer (3.46 Å) In–Br bond lengths. In the second In1+ site, In1+ is bonded in a 2-coordinate geometry to two equivalent Br1- atoms. Both In–Br bond lengths are 3.34 Å. Ga3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Ga–Br bond distances ranging from 2.35–2.38 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one In1+ and one Ga3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ga3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to one In1+ and one Ga3+ atom. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to one In1+ and one Ga3+ atom.