Materials Data on Li2Y5In9 by Materials Project
Li2Y5In9 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to eight In atoms. There are a spread of Li–In bond distances ranging from 2.83–3.31 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to six In atoms. There are a spread of Li–In bond distances ranging from 2.97–3.35 Å. There are four inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.21–3.32 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.21–3.34 Å. In the third Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.15–3.49 Å. In the fourth Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.16–3.39 Å. There are six inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to one Li, five Y, and two equivalent In atoms. Both In–In bond lengths are 3.03 Å. In the second In site, In is bonded in a 1-coordinate geometry to two equivalent Li and five Y atoms. In the third In site, In is bonded in a 1-coordinate geometry to two equivalent Li, five Y, and four In atoms. There are a spread of In–In bond distances ranging from 3.23–3.33 Å. In the fourth In site, In is bonded in a 10-coordinate geometry to two Li, five Y, and three In atoms. In the fifth In site, In is bonded in a distorted square pyramidal geometry to five Y and four equivalent In atoms. In the sixth In site, In is bonded in a 5-coordinate geometry to five Y atoms.