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Title: Materials Data on NdOF by Materials Project

Abstract

NdOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Nd–O bond lengths are 2.38 Å. There are three shorter (2.55 Å) and one longer (2.56 Å) Nd–F bond lengths. O2- is bonded to four equivalent Nd3+ atoms to form distorted ONd4 tetrahedra that share corners with six equivalent ONd4 tetrahedra, corners with ten equivalent FNd4 tetrahedra, edges with three equivalent ONd4 tetrahedra, and edges with three equivalent FNd4 tetrahedra. F1- is bonded to four equivalent Nd3+ atoms to form distorted FNd4 tetrahedra that share corners with six equivalent FNd4 tetrahedra, corners with ten equivalent ONd4 tetrahedra, edges with three equivalent ONd4 tetrahedra, and edges with three equivalent FNd4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-5634
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NdOF; F-Nd-O
OSTI Identifier:
1272399
DOI:
https://doi.org/10.17188/1272399

Citation Formats

The Materials Project. Materials Data on NdOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272399.
The Materials Project. Materials Data on NdOF by Materials Project. United States. doi:https://doi.org/10.17188/1272399
The Materials Project. 2020. "Materials Data on NdOF by Materials Project". United States. doi:https://doi.org/10.17188/1272399. https://www.osti.gov/servlets/purl/1272399. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1272399,
title = {Materials Data on NdOF by Materials Project},
author = {The Materials Project},
abstractNote = {NdOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Nd–O bond lengths are 2.38 Å. There are three shorter (2.55 Å) and one longer (2.56 Å) Nd–F bond lengths. O2- is bonded to four equivalent Nd3+ atoms to form distorted ONd4 tetrahedra that share corners with six equivalent ONd4 tetrahedra, corners with ten equivalent FNd4 tetrahedra, edges with three equivalent ONd4 tetrahedra, and edges with three equivalent FNd4 tetrahedra. F1- is bonded to four equivalent Nd3+ atoms to form distorted FNd4 tetrahedra that share corners with six equivalent FNd4 tetrahedra, corners with ten equivalent ONd4 tetrahedra, edges with three equivalent ONd4 tetrahedra, and edges with three equivalent FNd4 tetrahedra.},
doi = {10.17188/1272399},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}