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Title: Materials Data on NdF3 by Materials Project

Abstract

NdF3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of Nd–F bond distances ranging from 2.37–2.94 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Nd3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Nd3+ and one F1- atom. The F–F bond length is 2.52 Å. In the third F1- site, F1- is bonded to six equivalent Nd3+ and six equivalent F1- atoms to form face-sharing FNd6F6 cuboctahedra.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1192877
Report Number(s):
mp-18074
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; NdF3; F-Nd

Citation Formats

The Materials Project. Materials Data on NdF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192877.
The Materials Project. Materials Data on NdF3 by Materials Project. United States. https://doi.org/10.17188/1192877
The Materials Project. 2020. "Materials Data on NdF3 by Materials Project". United States. https://doi.org/10.17188/1192877. https://www.osti.gov/servlets/purl/1192877.
@article{osti_1192877,
title = {Materials Data on NdF3 by Materials Project},
author = {The Materials Project},
abstractNote = {NdF3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of Nd–F bond distances ranging from 2.37–2.94 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Nd3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Nd3+ and one F1- atom. The F–F bond length is 2.52 Å. In the third F1- site, F1- is bonded to six equivalent Nd3+ and six equivalent F1- atoms to form face-sharing FNd6F6 cuboctahedra.},
doi = {10.17188/1192877},
url = {https://www.osti.gov/biblio/1192877}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}