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Title: Materials Data on LuBeNF6 by Materials Project

Abstract

BeLuNF6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.54 Å) and three longer (1.56 Å) Be–F bond length. Lu3+ is bonded in a 6-coordinate geometry to eight F1- atoms. There are a spread of Lu–F bond distances ranging from 2.08–2.69 Å. N1+ is bonded in an L-shaped geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.56 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Be2+ and one Lu3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Be2+ and one Lu3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Lu3+ and one N1+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Be2+ and one Lu3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1211031
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; LuBeNF6; Be-F-Lu-N
OSTI Identifier:
1705313
DOI:
https://doi.org/10.17188/1705313

Citation Formats

The Materials Project. Materials Data on LuBeNF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705313.
The Materials Project. Materials Data on LuBeNF6 by Materials Project. United States. doi:https://doi.org/10.17188/1705313
The Materials Project. 2020. "Materials Data on LuBeNF6 by Materials Project". United States. doi:https://doi.org/10.17188/1705313. https://www.osti.gov/servlets/purl/1705313. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705313,
title = {Materials Data on LuBeNF6 by Materials Project},
author = {The Materials Project},
abstractNote = {BeLuNF6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.54 Å) and three longer (1.56 Å) Be–F bond length. Lu3+ is bonded in a 6-coordinate geometry to eight F1- atoms. There are a spread of Lu–F bond distances ranging from 2.08–2.69 Å. N1+ is bonded in an L-shaped geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.56 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Be2+ and one Lu3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Be2+ and one Lu3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Lu3+ and one N1+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Be2+ and one Lu3+ atom.},
doi = {10.17188/1705313},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}