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

Title: Materials Data on CsSn2Cl5 by Materials Project

Abstract

CsSn2Cl5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are eight shorter (3.66 Å) and two longer (3.88 Å) Cs–Cl bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are two shorter (2.60 Å) and two longer (3.02 Å) Sn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent Cs1+ and four equivalent Sn2+ atoms to form distorted corner-sharing ClCs2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–31°. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and one Sn2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-30164
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; CsSn2Cl5; Cl-Cs-Sn
OSTI Identifier:
1204581
DOI:
https://doi.org/10.17188/1204581

Citation Formats

The Materials Project. Materials Data on CsSn2Cl5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204581.
The Materials Project. Materials Data on CsSn2Cl5 by Materials Project. United States. doi:https://doi.org/10.17188/1204581
The Materials Project. 2020. "Materials Data on CsSn2Cl5 by Materials Project". United States. doi:https://doi.org/10.17188/1204581. https://www.osti.gov/servlets/purl/1204581. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204581,
title = {Materials Data on CsSn2Cl5 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSn2Cl5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are eight shorter (3.66 Å) and two longer (3.88 Å) Cs–Cl bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are two shorter (2.60 Å) and two longer (3.02 Å) Sn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent Cs1+ and four equivalent Sn2+ atoms to form distorted corner-sharing ClCs2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–31°. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and one Sn2+ atom.},
doi = {10.17188/1204581},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}