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Title: Materials Data on Rb3SmF6 by Materials Project

Abstract

Rb3SmF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to four equivalent F1- atoms. All Rb–F bond lengths are 2.82 Å. In the second Rb1+ site, Rb1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Rb–F bond lengths are 2.57 Å. Sm3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.25 Å) and two longer (2.27 Å) Sm–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one Sm3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Rb1+ and one Sm3+ atom.

Publication Date:
Other Number(s):
mp-1205613
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; Rb3SmF6; F-Rb-Sm
OSTI Identifier:
1677718
DOI:
https://doi.org/10.17188/1677718

Citation Formats

The Materials Project. Materials Data on Rb3SmF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677718.
The Materials Project. Materials Data on Rb3SmF6 by Materials Project. United States. doi:https://doi.org/10.17188/1677718
The Materials Project. 2020. "Materials Data on Rb3SmF6 by Materials Project". United States. doi:https://doi.org/10.17188/1677718. https://www.osti.gov/servlets/purl/1677718. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677718,
title = {Materials Data on Rb3SmF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3SmF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to four equivalent F1- atoms. All Rb–F bond lengths are 2.82 Å. In the second Rb1+ site, Rb1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Rb–F bond lengths are 2.57 Å. Sm3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.25 Å) and two longer (2.27 Å) Sm–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one Sm3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Rb1+ and one Sm3+ atom.},
doi = {10.17188/1677718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}