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

Title: Materials Data on RbPbF3 by Materials Project

Abstract

RbPbF3 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Rb1+ is bonded to five F1- atoms to form distorted RbF5 trigonal bipyramids that share corners with eight equivalent PbF5 square pyramids and corners with four equivalent RbF5 trigonal bipyramids. There are a spread of Rb–F bond distances ranging from 2.64–3.01 Å. Pb2+ is bonded to five F1- atoms to form distorted PbF5 square pyramids that share corners with eight equivalent RbF5 trigonal bipyramids and edges with two equivalent PbF5 square pyramids. There are a spread of Pb–F bond distances ranging from 2.20–2.52 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to one Rb1+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent Pb2+ atoms to form distorted corner-sharing FRb2Pb2 tetrahedra. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one Pb2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1173075
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; RbPbF3; F-Pb-Rb
OSTI Identifier:
1708155
DOI:
https://doi.org/10.17188/1708155

Citation Formats

The Materials Project. Materials Data on RbPbF3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1708155.
The Materials Project. Materials Data on RbPbF3 by Materials Project. United States. doi:https://doi.org/10.17188/1708155
The Materials Project. 2019. "Materials Data on RbPbF3 by Materials Project". United States. doi:https://doi.org/10.17188/1708155. https://www.osti.gov/servlets/purl/1708155. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1708155,
title = {Materials Data on RbPbF3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbPbF3 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Rb1+ is bonded to five F1- atoms to form distorted RbF5 trigonal bipyramids that share corners with eight equivalent PbF5 square pyramids and corners with four equivalent RbF5 trigonal bipyramids. There are a spread of Rb–F bond distances ranging from 2.64–3.01 Å. Pb2+ is bonded to five F1- atoms to form distorted PbF5 square pyramids that share corners with eight equivalent RbF5 trigonal bipyramids and edges with two equivalent PbF5 square pyramids. There are a spread of Pb–F bond distances ranging from 2.20–2.52 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to one Rb1+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent Pb2+ atoms to form distorted corner-sharing FRb2Pb2 tetrahedra. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one Pb2+ atom.},
doi = {10.17188/1708155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}