U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd6F17 by Materials Project
Abstract
Nd6F17 crystallizes in the trigonal P3_2 space group. The structure is three-dimensional. there are six inequivalent Nd+2.83+ sites. In the first Nd+2.83+ site, Nd+2.83+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Nd–F bond distances ranging from 2.37–2.60 Å. In the second Nd+2.83+ site, Nd+2.83+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Nd–F bond distances ranging from 2.37–2.58 Å. In the third Nd+2.83+ site, Nd+2.83+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Nd–F bond distances ranging from 2.36–2.63 Å. In the fourth Nd+2.83+ site, Nd+2.83+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Nd–F bond distances ranging from 2.36–2.57 Å. In the fifth Nd+2.83+ site, Nd+2.83+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Nd–F bond distances ranging from 2.35–2.61 Å. In the sixth Nd+2.83+ site, Nd+2.83+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Nd–F bond distances ranging from 2.37–2.59 Å. There are seventeen inequivalent F1- sites. In the first F1- site, F1- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-531687
- 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; Nd6F17; F-Nd
- OSTI Identifier:
- 1263339
- DOI:
- https://doi.org/10.17188/1263339
Citation Formats
The Materials Project. Materials Data on Nd6F17 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263339.
The Materials Project. Materials Data on Nd6F17 by Materials Project. United States. doi:https://doi.org/10.17188/1263339
The Materials Project. 2020.
"Materials Data on Nd6F17 by Materials Project". United States. doi:https://doi.org/10.17188/1263339. https://www.osti.gov/servlets/purl/1263339. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1263339,
title = {Materials Data on Nd6F17 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd6F17 crystallizes in the trigonal P3_2 space group. The structure is three-dimensional. there are six inequivalent Nd+2.83+ sites. In the first Nd+2.83+ site, Nd+2.83+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Nd–F bond distances ranging from 2.37–2.60 Å. In the second Nd+2.83+ site, Nd+2.83+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Nd–F bond distances ranging from 2.37–2.58 Å. In the third Nd+2.83+ site, Nd+2.83+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Nd–F bond distances ranging from 2.36–2.63 Å. In the fourth Nd+2.83+ site, Nd+2.83+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Nd–F bond distances ranging from 2.36–2.57 Å. In the fifth Nd+2.83+ site, Nd+2.83+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Nd–F bond distances ranging from 2.35–2.61 Å. In the sixth Nd+2.83+ site, Nd+2.83+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Nd–F bond distances ranging from 2.37–2.59 Å. There are seventeen inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three Nd+2.83+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Nd+2.83+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Nd+2.83+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Nd+2.83+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to three Nd+2.83+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Nd+2.83+ atoms. In the seventh F1- site, F1- is bonded in a trigonal planar geometry to three Nd+2.83+ atoms. In the eighth F1- site, F1- is bonded in a trigonal planar geometry to three Nd+2.83+ atoms. In the ninth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Nd+2.83+ atoms. In the tenth F1- site, F1- is bonded in a 3-coordinate geometry to three Nd+2.83+ atoms. In the eleventh F1- site, F1- is bonded in a 3-coordinate geometry to three Nd+2.83+ atoms. In the twelfth F1- site, F1- is bonded in a 3-coordinate geometry to three Nd+2.83+ atoms. In the thirteenth F1- site, F1- is bonded in a 3-coordinate geometry to three Nd+2.83+ atoms. In the fourteenth F1- site, F1- is bonded in a 3-coordinate geometry to three Nd+2.83+ atoms. In the fifteenth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Nd+2.83+ atoms. In the sixteenth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Nd+2.83+ atoms. In the seventeenth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Nd+2.83+ atoms.},
doi = {10.17188/1263339},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}