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Title: Materials Data on Rb4CdBr6 by Materials Project

Abstract

Rb4CdBr6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.54–3.77 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All Rb–Br bond lengths are 3.42 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Cd–Br bond lengths are 2.85 Å. Br1- is bonded to five Rb1+ and one Cd2+ atom to form a mixture of distorted edge, face, and corner-sharing BrRb5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–64°.

Authors:
Publication Date:
Other Number(s):
mp-28315
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; Rb4CdBr6; Br-Cd-Rb
OSTI Identifier:
1202441
DOI:
https://doi.org/10.17188/1202441

Citation Formats

The Materials Project. Materials Data on Rb4CdBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202441.
The Materials Project. Materials Data on Rb4CdBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1202441
The Materials Project. 2020. "Materials Data on Rb4CdBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1202441. https://www.osti.gov/servlets/purl/1202441. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1202441,
title = {Materials Data on Rb4CdBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4CdBr6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.54–3.77 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All Rb–Br bond lengths are 3.42 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Cd–Br bond lengths are 2.85 Å. Br1- is bonded to five Rb1+ and one Cd2+ atom to form a mixture of distorted edge, face, and corner-sharing BrRb5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–64°.},
doi = {10.17188/1202441},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}