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Title: Materials Data on RbLaF4 by Materials Project

Abstract

RbLaF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.78–2.93 Å. La3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of La–F bond distances ranging from 2.35–2.60 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La3+ atoms. In the second F1- site, F1- is bonded to one Rb1+ and three equivalent La3+ atoms to form a mixture of edge and corner-sharing FRbLa3 tetrahedra. In the third F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent La3+ atoms to form distorted FRb2La2 tetrahedra that share corners with ten FRb2La2 tetrahedra and an edgeedge with one FRbLa3 tetrahedra. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one La3+ atom.

Publication Date:
Other Number(s):
mp-1190838
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; RbLaF4; F-La-Rb
OSTI Identifier:
1651575
DOI:
https://doi.org/10.17188/1651575

Citation Formats

The Materials Project. Materials Data on RbLaF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651575.
The Materials Project. Materials Data on RbLaF4 by Materials Project. United States. doi:https://doi.org/10.17188/1651575
The Materials Project. 2020. "Materials Data on RbLaF4 by Materials Project". United States. doi:https://doi.org/10.17188/1651575. https://www.osti.gov/servlets/purl/1651575. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1651575,
title = {Materials Data on RbLaF4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbLaF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.78–2.93 Å. La3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of La–F bond distances ranging from 2.35–2.60 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La3+ atoms. In the second F1- site, F1- is bonded to one Rb1+ and three equivalent La3+ atoms to form a mixture of edge and corner-sharing FRbLa3 tetrahedra. In the third F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent La3+ atoms to form distorted FRb2La2 tetrahedra that share corners with ten FRb2La2 tetrahedra and an edgeedge with one FRbLa3 tetrahedra. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one La3+ atom.},
doi = {10.17188/1651575},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}