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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 in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sc–F bond distances ranging from 2.02–2.60 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 4-coordinate geometry to four equivalent Sc3+ atoms.

Publication Date:
Other Number(s):
mp-634805
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:
1279480
DOI:
10.17188/1279480

Citation Formats

The Materials Project. Materials Data on ScF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279480.
The Materials Project. Materials Data on ScF3 by Materials Project. United States. doi:10.17188/1279480.
The Materials Project. 2020. "Materials Data on ScF3 by Materials Project". United States. doi:10.17188/1279480. https://www.osti.gov/servlets/purl/1279480. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279480,
title = {Materials Data on ScF3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScF3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sc3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sc–F bond distances ranging from 2.02–2.60 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 4-coordinate geometry to four equivalent Sc3+ atoms.},
doi = {10.17188/1279480},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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