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Title: Materials Data on RbCeF4 by Materials Project

Abstract

RbCeF4 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 2.75–2.90 Å. Ce3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Ce–F bond distances ranging from 2.33–2.55 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent Ce3+ atoms to form distorted FRb2Ce2 tetrahedra that share corners with ten FRb2Ce2 tetrahedra and an edgeedge with one FRbCe3 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ce3+ atoms. In the third F1- site, F1- is bonded to one Rb1+ and three equivalent Ce3+ atoms to form FRbCe3 tetrahedra that share corners with eight FRb2Ce2 tetrahedra and edges with three FRbCe3 tetrahedra. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Ce3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1209496
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; RbCeF4; Ce-F-Rb
OSTI Identifier:
1734099
DOI:
https://doi.org/10.17188/1734099

Citation Formats

The Materials Project. Materials Data on RbCeF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734099.
The Materials Project. Materials Data on RbCeF4 by Materials Project. United States. doi:https://doi.org/10.17188/1734099
The Materials Project. 2020. "Materials Data on RbCeF4 by Materials Project". United States. doi:https://doi.org/10.17188/1734099. https://www.osti.gov/servlets/purl/1734099. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1734099,
title = {Materials Data on RbCeF4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCeF4 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 2.75–2.90 Å. Ce3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Ce–F bond distances ranging from 2.33–2.55 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent Ce3+ atoms to form distorted FRb2Ce2 tetrahedra that share corners with ten FRb2Ce2 tetrahedra and an edgeedge with one FRbCe3 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ce3+ atoms. In the third F1- site, F1- is bonded to one Rb1+ and three equivalent Ce3+ atoms to form FRbCe3 tetrahedra that share corners with eight FRb2Ce2 tetrahedra and edges with three FRbCe3 tetrahedra. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Ce3+ atom.},
doi = {10.17188/1734099},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}