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

Title: Materials Data on Rb2BaBr4 by Materials Project

Abstract

Rb2BaBr4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.39–3.67 Å. Ba2+ is bonded to eight equivalent Br1- atoms to form distorted edge-sharing BaBr8 hexagonal bipyramids. There are four shorter (3.31 Å) and four longer (3.60 Å) Ba–Br bond lengths. Br1- is bonded to four equivalent Rb1+ and two equivalent Ba2+ atoms to form a mixture of distorted face, edge, and corner-sharing BrRb4Ba2 octahedra. The corner-sharing octahedra tilt angles range from 15–52°.

Publication Date:
Other Number(s):
mp-1219768
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; Rb2BaBr4; Ba-Br-Rb
OSTI Identifier:
1676701
DOI:
https://doi.org/10.17188/1676701

Citation Formats

The Materials Project. Materials Data on Rb2BaBr4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676701.
The Materials Project. Materials Data on Rb2BaBr4 by Materials Project. United States. doi:https://doi.org/10.17188/1676701
The Materials Project. 2020. "Materials Data on Rb2BaBr4 by Materials Project". United States. doi:https://doi.org/10.17188/1676701. https://www.osti.gov/servlets/purl/1676701. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1676701,
title = {Materials Data on Rb2BaBr4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2BaBr4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.39–3.67 Å. Ba2+ is bonded to eight equivalent Br1- atoms to form distorted edge-sharing BaBr8 hexagonal bipyramids. There are four shorter (3.31 Å) and four longer (3.60 Å) Ba–Br bond lengths. Br1- is bonded to four equivalent Rb1+ and two equivalent Ba2+ atoms to form a mixture of distorted face, edge, and corner-sharing BrRb4Ba2 octahedra. The corner-sharing octahedra tilt angles range from 15–52°.},
doi = {10.17188/1676701},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}