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Title: Materials Data on Rb2LiTlCl6 by Materials Project

Abstract

Rb2LiTlCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent TlCl6 octahedra. All Rb–Cl bond lengths are 3.70 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent TlCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.60 Å. Tl3+ is bonded to six equivalent Cl1- atoms to form TlCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Cl bond lengths are 2.62 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Li1+, and one Tl3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-989579
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; Rb2LiTlCl6; Cl-Li-Rb-Tl
OSTI Identifier:
1316877
DOI:
https://doi.org/10.17188/1316877

Citation Formats

The Materials Project. Materials Data on Rb2LiTlCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316877.
The Materials Project. Materials Data on Rb2LiTlCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1316877
The Materials Project. 2020. "Materials Data on Rb2LiTlCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1316877. https://www.osti.gov/servlets/purl/1316877. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1316877,
title = {Materials Data on Rb2LiTlCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2LiTlCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent TlCl6 octahedra. All Rb–Cl bond lengths are 3.70 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent TlCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.60 Å. Tl3+ is bonded to six equivalent Cl1- atoms to form TlCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Cl bond lengths are 2.62 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Li1+, and one Tl3+ atom.},
doi = {10.17188/1316877},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}