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Title: Materials Data on Rb2NaTlCl6 by Materials Project

Abstract

Rb2NaTlCl6 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 NaCl6 octahedra, and faces with four equivalent TlCl6 octahedra. All Rb–Cl bond lengths are 3.80 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 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 Na–Cl bond lengths are 2.76 Å. Tl3+ is bonded to six equivalent Cl1- atoms to form TlCl6 octahedra that share corners with six equivalent NaCl6 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 Na1+, and one Tl3+ atom.

Publication Date:
Other Number(s):
mp-989563
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; Rb2NaTlCl6; Cl-Na-Rb-Tl
OSTI Identifier:
1316862
DOI:
https://doi.org/10.17188/1316862

Citation Formats

The Materials Project. Materials Data on Rb2NaTlCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316862.
The Materials Project. Materials Data on Rb2NaTlCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1316862
The Materials Project. 2020. "Materials Data on Rb2NaTlCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1316862. https://www.osti.gov/servlets/purl/1316862. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1316862,
title = {Materials Data on Rb2NaTlCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2NaTlCl6 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 NaCl6 octahedra, and faces with four equivalent TlCl6 octahedra. All Rb–Cl bond lengths are 3.80 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 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 Na–Cl bond lengths are 2.76 Å. Tl3+ is bonded to six equivalent Cl1- atoms to form TlCl6 octahedra that share corners with six equivalent NaCl6 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 Na1+, and one Tl3+ atom.},
doi = {10.17188/1316862},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}