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Title: Materials Data on SmBeF4 by Materials Project

Abstract

BeSmF4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.62 Å. Sm2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Sm–F bond distances ranging from 2.34–2.82 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Be2+ and one Sm2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and one Sm2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Sm2+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Sm2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505432
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; SmBeF4; Be-F-Sm
OSTI Identifier:
1262535
DOI:
10.17188/1262535

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SmBeF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262535.
Persson, Kristin, & Project, Materials. Materials Data on SmBeF4 by Materials Project. United States. doi:10.17188/1262535.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SmBeF4 by Materials Project". United States. doi:10.17188/1262535. https://www.osti.gov/servlets/purl/1262535. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1262535,
title = {Materials Data on SmBeF4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BeSmF4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.62 Å. Sm2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Sm–F bond distances ranging from 2.34–2.82 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Be2+ and one Sm2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and one Sm2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Sm2+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Sm2+ atoms.},
doi = {10.17188/1262535},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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