Materials Data on Ti8In5 by Materials Project

Ti8In5 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are five inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to three Ti and six In atoms. There are a spread of Ti–Ti bond distances ranging from 2.69–3.11 Å. There are a spread of Ti–In bond distances ranging from 2.90–3.02 Å. In the second Ti site, Ti is bonded in a 9-coordinate geometry to one Ti and eight In atoms. The Ti–Ti bond length is 2.80 Å. There are a spread of Ti–In bond distances ranging from 2.92–3.16 Å. In the third Ti site, Ti is bonded in a 2-coordinate geometry to nine Ti and four equivalent In atoms. There are a spread of Ti–Ti bond distances ranging from 2.86–3.06 Å. All Ti–In bond lengths are 3.15 Å. In the fourth Ti site, Ti is bonded in a distorted q6 geometry to nine Ti and three equivalent In atoms. There are three shorter (2.74 Å) and three longer (2.88 Å) Ti–Ti bond lengths. All Ti–In bond lengths are 3.10 Å. In the fifth Ti site, Ti is bonded in a 3-coordinate geometry to nine Ti and four In atoms. There are three shorter (2.78 Å) and one longer (3.11 Å) Ti–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to ten Ti and one In atom. The In–In bond length is 3.18 Å. In the second In site, In is bonded in a 12-coordinate geometry to six Ti and six In atoms. All In–In bond lengths are 3.10 Å. In the third In site, In is bonded in a 10-coordinate geometry to seven Ti and three equivalent In atoms.