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}
}
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