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Title: Materials Data on ScF3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1284892· OSTI ID:1284892

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1284892
Report Number(s):
mp-695817
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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