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Title: Materials Data on RbYbBeF6 by Materials Project

Abstract

RbBeYbF6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded to twelve F1- atoms to form distorted RbF12 cuboctahedra that share corners with two equivalent RbF12 cuboctahedra, corners with two equivalent BeF4 tetrahedra, edges with two equivalent RbF12 cuboctahedra, edges with three equivalent BeF4 tetrahedra, and faces with two equivalent RbF12 cuboctahedra. There are a spread of Rb–F bond distances ranging from 2.98–3.37 Å. Be2+ is bonded to four F1- atoms to form BeF4 tetrahedra that share corners with two equivalent RbF12 cuboctahedra and edges with three equivalent RbF12 cuboctahedra. There are a spread of Be–F bond distances ranging from 1.55–1.61 Å. Yb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Yb–F bond distances ranging from 2.21–2.38 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Be2+, and one Yb3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+, one Be2+, and one Yb3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+, two equivalent Yb3+, and onemore » F1- atom. The F–F bond length is 1.97 Å. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Rb1+, one Be2+, and one Yb3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1209125
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; RbYbBeF6; Be-F-Rb-Yb
OSTI Identifier:
1689061
DOI:
https://doi.org/10.17188/1689061

Citation Formats

The Materials Project. Materials Data on RbYbBeF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689061.
The Materials Project. Materials Data on RbYbBeF6 by Materials Project. United States. doi:https://doi.org/10.17188/1689061
The Materials Project. 2020. "Materials Data on RbYbBeF6 by Materials Project". United States. doi:https://doi.org/10.17188/1689061. https://www.osti.gov/servlets/purl/1689061. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1689061,
title = {Materials Data on RbYbBeF6 by Materials Project},
author = {The Materials Project},
abstractNote = {RbBeYbF6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded to twelve F1- atoms to form distorted RbF12 cuboctahedra that share corners with two equivalent RbF12 cuboctahedra, corners with two equivalent BeF4 tetrahedra, edges with two equivalent RbF12 cuboctahedra, edges with three equivalent BeF4 tetrahedra, and faces with two equivalent RbF12 cuboctahedra. There are a spread of Rb–F bond distances ranging from 2.98–3.37 Å. Be2+ is bonded to four F1- atoms to form BeF4 tetrahedra that share corners with two equivalent RbF12 cuboctahedra and edges with three equivalent RbF12 cuboctahedra. There are a spread of Be–F bond distances ranging from 1.55–1.61 Å. Yb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Yb–F bond distances ranging from 2.21–2.38 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Be2+, and one Yb3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+, one Be2+, and one Yb3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+, two equivalent Yb3+, and one F1- atom. The F–F bond length is 1.97 Å. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Rb1+, one Be2+, and one Yb3+ atom.},
doi = {10.17188/1689061},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}