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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-998591
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiSnCl3; Cl-Li-Sn
OSTI Identifier:
1317355
DOI:
https://doi.org/10.17188/1317355

Citation Formats

The Materials Project. Materials Data on LiSnCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317355.
The Materials Project. Materials Data on LiSnCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1317355
The Materials Project. 2020. "Materials Data on LiSnCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1317355. https://www.osti.gov/servlets/purl/1317355. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1317355,
title = {Materials Data on LiSnCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1317355},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}