Materials Data on La5Sn3I by Materials Project
La5Sn3I crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent I atoms. There are a spread of La–Sn bond distances ranging from 3.30–3.73 Å. Both La–I bond lengths are 3.25 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All La–Sn bond lengths are 3.52 Å. Sn is bonded in a 9-coordinate geometry to nine La atoms. I is bonded to six equivalent La atoms to form face-sharing ILa6 octahedra.
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