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Title: Materials Data on Ce15B8N25 by Materials Project

Abstract

Ce15B8N25 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three inequivalent Ce+3.40+ sites. In the first Ce+3.40+ site, Ce+3.40+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Ce–N bond distances ranging from 2.29–2.97 Å. In the second Ce+3.40+ site, Ce+3.40+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Ce–N bond distances ranging from 2.27–2.82 Å. In the third Ce+3.40+ site, Ce+3.40+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Ce–N bond distances ranging from 2.40–2.75 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.46 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.46–1.49 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five Ce+3.40+ and one B3+ atom. In the second N3- site, N3- is bonded in an octahedral geometry tomore » six equivalent Ce+3.40+ atoms. In the third N3- site, N3- is bonded in a distorted single-bond geometry to five Ce+3.40+ and one B3+ atom. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to five Ce+3.40+ and one B3+ atom. In the fifth N3- site, N3- is bonded in a distorted single-bond geometry to five Ce+3.40+ and one B3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-28370
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; Ce15B8N25; B-Ce-N
OSTI Identifier:
1202486
DOI:
https://doi.org/10.17188/1202486

Citation Formats

The Materials Project. Materials Data on Ce15B8N25 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202486.
The Materials Project. Materials Data on Ce15B8N25 by Materials Project. United States. doi:https://doi.org/10.17188/1202486
The Materials Project. 2020. "Materials Data on Ce15B8N25 by Materials Project". United States. doi:https://doi.org/10.17188/1202486. https://www.osti.gov/servlets/purl/1202486. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1202486,
title = {Materials Data on Ce15B8N25 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce15B8N25 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three inequivalent Ce+3.40+ sites. In the first Ce+3.40+ site, Ce+3.40+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Ce–N bond distances ranging from 2.29–2.97 Å. In the second Ce+3.40+ site, Ce+3.40+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Ce–N bond distances ranging from 2.27–2.82 Å. In the third Ce+3.40+ site, Ce+3.40+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Ce–N bond distances ranging from 2.40–2.75 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.46 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.46–1.49 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five Ce+3.40+ and one B3+ atom. In the second N3- site, N3- is bonded in an octahedral geometry to six equivalent Ce+3.40+ atoms. In the third N3- site, N3- is bonded in a distorted single-bond geometry to five Ce+3.40+ and one B3+ atom. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to five Ce+3.40+ and one B3+ atom. In the fifth N3- site, N3- is bonded in a distorted single-bond geometry to five Ce+3.40+ and one B3+ atom.},
doi = {10.17188/1202486},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}