Materials Data on LiSnCl3 by Materials Project

Abstract

LiSnCl3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with three equivalent SnCl6 octahedra, corners with six equivalent LiCl6 octahedra, edges with three equivalent SnCl6 octahedra, and a faceface with one SnCl6 octahedra. The corner-sharing octahedra tilt angles range from 32–65°. There are three shorter (2.51 Å) and three longer (2.76 Å) Li–Cl bond lengths. Sn2+ is bonded to six equivalent Cl1- atoms to form distorted SnCl6 octahedra that share corners with three equivalent LiCl6 octahedra, corners with six equivalent SnCl6 octahedra, edges with three equivalent LiCl6 octahedra, and a faceface with one LiCl6 octahedra. The corner-sharing octahedra tilt angles range from 59–65°. There are three shorter (2.69 Å) and three longer (3.13 Å) Sn–Cl bond lengths. Cl1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Sn2+ atoms.