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Title: Materials Data on Nd2NiB10 by Materials Project

Abstract

Nd2NiB10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Nd+2.50+ is bonded in a 4-coordinate geometry to twenty B+0.60- atoms. There are a spread of Nd–B bond distances ranging from 2.88–3.02 Å. Ni1+ is bonded in a 8-coordinate geometry to eight B+0.60- atoms. There are a spread of Ni–B bond distances ranging from 2.12–2.16 Å. There are four inequivalent B+0.60- sites. In the first B+0.60- site, B+0.60- is bonded in a 9-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms. There are a spread of B–B bond distances ranging from 1.69–1.79 Å. In the second B+0.60- site, B+0.60- is bonded in a 1-coordinate geometry to four equivalent Nd+2.50+ and five B+0.60- atoms. There are a spread of B–B bond distances ranging from 1.68–1.76 Å. In the third B+0.60- site, B+0.60- is bonded in a 9-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms. There is one shorter (1.68 Å) and one longer (1.78 Å) B–B bond length. In the fourth B+0.60- site, B+0.60- is bonded in a 1-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms.

Authors:
Publication Date:
Other Number(s):
mp-22471
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; Nd2NiB10; B-Nd-Ni
OSTI Identifier:
1198378
DOI:
https://doi.org/10.17188/1198378

Citation Formats

The Materials Project. Materials Data on Nd2NiB10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198378.
The Materials Project. Materials Data on Nd2NiB10 by Materials Project. United States. doi:https://doi.org/10.17188/1198378
The Materials Project. 2020. "Materials Data on Nd2NiB10 by Materials Project". United States. doi:https://doi.org/10.17188/1198378. https://www.osti.gov/servlets/purl/1198378. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1198378,
title = {Materials Data on Nd2NiB10 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2NiB10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Nd+2.50+ is bonded in a 4-coordinate geometry to twenty B+0.60- atoms. There are a spread of Nd–B bond distances ranging from 2.88–3.02 Å. Ni1+ is bonded in a 8-coordinate geometry to eight B+0.60- atoms. There are a spread of Ni–B bond distances ranging from 2.12–2.16 Å. There are four inequivalent B+0.60- sites. In the first B+0.60- site, B+0.60- is bonded in a 9-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms. There are a spread of B–B bond distances ranging from 1.69–1.79 Å. In the second B+0.60- site, B+0.60- is bonded in a 1-coordinate geometry to four equivalent Nd+2.50+ and five B+0.60- atoms. There are a spread of B–B bond distances ranging from 1.68–1.76 Å. In the third B+0.60- site, B+0.60- is bonded in a 9-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms. There is one shorter (1.68 Å) and one longer (1.78 Å) B–B bond length. In the fourth B+0.60- site, B+0.60- is bonded in a 1-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms.},
doi = {10.17188/1198378},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}