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Title: Materials Data on PrF3 by Materials Project

Abstract

PrF3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of Pr–F bond distances ranging from 2.39–2.96 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Pr3+ and one F1- atom. The F–F bond length is 2.53 Å. In the third F1- site, F1- is bonded to six equivalent Pr3+ and six equivalent F1- atoms to form face-sharing FPr6F6 cuboctahedra.

Publication Date:
Other Number(s):
mp-17906
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; PrF3; F-Pr
OSTI Identifier:
1192765
DOI:
https://doi.org/10.17188/1192765

Citation Formats

The Materials Project. Materials Data on PrF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192765.
The Materials Project. Materials Data on PrF3 by Materials Project. United States. doi:https://doi.org/10.17188/1192765
The Materials Project. 2020. "Materials Data on PrF3 by Materials Project". United States. doi:https://doi.org/10.17188/1192765. https://www.osti.gov/servlets/purl/1192765. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1192765,
title = {Materials Data on PrF3 by Materials Project},
author = {The Materials Project},
abstractNote = {PrF3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of Pr–F bond distances ranging from 2.39–2.96 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Pr3+ and one F1- atom. The F–F bond length is 2.53 Å. In the third F1- site, F1- is bonded to six equivalent Pr3+ and six equivalent F1- atoms to form face-sharing FPr6F6 cuboctahedra.},
doi = {10.17188/1192765},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}