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Title: Materials Data on Rb2LaBr5 by Materials Project

Abstract

Rb2LaBr5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.53–3.78 Å. La3+ is bonded to seven Br1- atoms to form distorted edge-sharing LaBr7 pentagonal bipyramids. There are a spread of La–Br bond distances ranging from 2.99–3.08 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one La3+ atom. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent La3+ atoms. In the third Br1- site, Br1- is bonded to four equivalent Rb1+ and one La3+ atom to form a mixture of distorted corner, edge, and face-sharing BrRb4La trigonal bipyramids. In the fourth Br1- site, Br1- is bonded to four equivalent Rb1+ and one La3+ atom to form a mixture of distorted corner, edge, and face-sharing BrRb4La trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1209612
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; Rb2LaBr5; Br-La-Rb
OSTI Identifier:
1757898
DOI:
https://doi.org/10.17188/1757898

Citation Formats

The Materials Project. Materials Data on Rb2LaBr5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757898.
The Materials Project. Materials Data on Rb2LaBr5 by Materials Project. United States. doi:https://doi.org/10.17188/1757898
The Materials Project. 2020. "Materials Data on Rb2LaBr5 by Materials Project". United States. doi:https://doi.org/10.17188/1757898. https://www.osti.gov/servlets/purl/1757898. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757898,
title = {Materials Data on Rb2LaBr5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2LaBr5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.53–3.78 Å. La3+ is bonded to seven Br1- atoms to form distorted edge-sharing LaBr7 pentagonal bipyramids. There are a spread of La–Br bond distances ranging from 2.99–3.08 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one La3+ atom. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent La3+ atoms. In the third Br1- site, Br1- is bonded to four equivalent Rb1+ and one La3+ atom to form a mixture of distorted corner, edge, and face-sharing BrRb4La trigonal bipyramids. In the fourth Br1- site, Br1- is bonded to four equivalent Rb1+ and one La3+ atom to form a mixture of distorted corner, edge, and face-sharing BrRb4La trigonal bipyramids.},
doi = {10.17188/1757898},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}