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Title: Materials Data on ScF3 by Materials Project

Abstract

ScF3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sc3+ is bonded to eight F1- atoms to form a mixture of distorted corner and edge-sharing ScF8 hexagonal bipyramids. There are a spread of Sc–F bond distances ranging from 2.08–2.51 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sc3+ atoms. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to four equivalent Sc3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-695817
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; ScF3; F-Sc
OSTI Identifier:
1284892
DOI:
10.17188/1284892

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ScF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284892.
Persson, Kristin, & Project, Materials. Materials Data on ScF3 by Materials Project. United States. doi:10.17188/1284892.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ScF3 by Materials Project". United States. doi:10.17188/1284892. https://www.osti.gov/servlets/purl/1284892. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1284892,
title = {Materials Data on ScF3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ScF3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sc3+ is bonded to eight F1- atoms to form a mixture of distorted corner and edge-sharing ScF8 hexagonal bipyramids. There are a spread of Sc–F bond distances ranging from 2.08–2.51 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sc3+ atoms. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to four equivalent Sc3+ atoms.},
doi = {10.17188/1284892},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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