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Title: Materials Data on Cs2LiTlBr6 by Materials Project

Abstract

Cs2LiTlBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent LiBr6 octahedra, and faces with four equivalent TlBr6 octahedra. All Cs–Br bond lengths are 3.96 Å. Li1+ is bonded to six equivalent Br1- atoms to form LiBr6 octahedra that share corners with six equivalent TlBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Br bond lengths are 2.80 Å. Tl3+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent LiBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 2.80 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Li1+, and one Tl3+ atom.

Publication Date:
Other Number(s):
mp-1112670
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs2LiTlBr6; Br-Cs-Li-Tl
OSTI Identifier:
1728906
DOI:
https://doi.org/10.17188/1728906

Citation Formats

The Materials Project. Materials Data on Cs2LiTlBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728906.
The Materials Project. Materials Data on Cs2LiTlBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1728906
The Materials Project. 2020. "Materials Data on Cs2LiTlBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1728906. https://www.osti.gov/servlets/purl/1728906. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1728906,
title = {Materials Data on Cs2LiTlBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2LiTlBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent LiBr6 octahedra, and faces with four equivalent TlBr6 octahedra. All Cs–Br bond lengths are 3.96 Å. Li1+ is bonded to six equivalent Br1- atoms to form LiBr6 octahedra that share corners with six equivalent TlBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Br bond lengths are 2.80 Å. Tl3+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent LiBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 2.80 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Li1+, and one Tl3+ atom.},
doi = {10.17188/1728906},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}