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Title: Materials Data on Nd3(BN2)2 by Materials Project

Abstract

Nd3(BN2)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded to six equivalent N3- atoms to form distorted edge-sharing NdN6 pentagonal pyramids. There are two shorter (2.48 Å) and four longer (2.57 Å) Nd–N bond lengths. In the second Nd2+ site, Nd2+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Nd–N bond lengths are 2.68 Å. B3+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.48 Å. N3- is bonded in a distorted single-bond geometry to five Nd2+ and one B3+ atom.

Publication Date:
Other Number(s):
mp-29588
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nd3(BN2)2; B-N-Nd
OSTI Identifier:
1204036
DOI:
https://doi.org/10.17188/1204036

Citation Formats

The Materials Project. Materials Data on Nd3(BN2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204036.
The Materials Project. Materials Data on Nd3(BN2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204036
The Materials Project. 2020. "Materials Data on Nd3(BN2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1204036. https://www.osti.gov/servlets/purl/1204036. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204036,
title = {Materials Data on Nd3(BN2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3(BN2)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded to six equivalent N3- atoms to form distorted edge-sharing NdN6 pentagonal pyramids. There are two shorter (2.48 Å) and four longer (2.57 Å) Nd–N bond lengths. In the second Nd2+ site, Nd2+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Nd–N bond lengths are 2.68 Å. B3+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.48 Å. N3- is bonded in a distorted single-bond geometry to five Nd2+ and one B3+ atom.},
doi = {10.17188/1204036},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}