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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiSnCl3 by Materials Project

LiSnCl3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded to six Cl1- atoms to form corner-sharing LiCl6 octahedra. The corner-sharing octahedra tilt angles range from 10–11°. There are a spread of Li–Cl bond distances ranging from 2.50–2.72 Å. Sn2+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are two shorter (2.58 Å) and one longer (2.59 Å) Sn–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one Sn2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one Sn2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one Sn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiSnCl3 by Materials Project

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.

36 MATERIALS SCIENCE↗