DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CsSnCl3 by Materials Project

Abstract

CsSnCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent SnCl6 octahedra. All Cs–Cl bond lengths are 3.98 Å. Sn2+ is bonded to six equivalent Cl1- atoms to form SnCl6 octahedra that share corners with six equivalent SnCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–Cl bond lengths are 2.81 Å. Cl1- is bonded to four equivalent Cs1+ and two equivalent Sn2+ atoms to form a mixture of distorted corner, edge, and face-sharing ClCs4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:
Publication Date:
Other Number(s):
mp-1070375
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; CsSnCl3; Cl-Cs-Sn
OSTI Identifier:
1737976
DOI:
https://doi.org/10.17188/1737976

Citation Formats

The Materials Project. Materials Data on CsSnCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1737976.
The Materials Project. Materials Data on CsSnCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1737976
The Materials Project. 2020. "Materials Data on CsSnCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1737976. https://www.osti.gov/servlets/purl/1737976. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1737976,
title = {Materials Data on CsSnCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSnCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent SnCl6 octahedra. All Cs–Cl bond lengths are 3.98 Å. Sn2+ is bonded to six equivalent Cl1- atoms to form SnCl6 octahedra that share corners with six equivalent SnCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–Cl bond lengths are 2.81 Å. Cl1- is bonded to four equivalent Cs1+ and two equivalent Sn2+ atoms to form a mixture of distorted corner, edge, and face-sharing ClCs4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1737976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}