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Title: Materials Data on Si4Ni9B2 by Materials Project

Abstract

Ni9B2Si4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent Ni+1.78+ sites. In the first Ni+1.78+ site, Ni+1.78+ is bonded in a 6-coordinate geometry to two equivalent B and four equivalent Si4- atoms. Both Ni–B bond lengths are 2.17 Å. There are a spread of Ni–Si bond distances ranging from 2.32–2.59 Å. In the second Ni+1.78+ site, Ni+1.78+ is bonded in a tetrahedral geometry to four equivalent Si4- atoms. All Ni–Si bond lengths are 2.25 Å. B is bonded in a 10-coordinate geometry to eight equivalent Ni+1.78+ and two equivalent B atoms. Both B–B bond lengths are 2.08 Å. Si4- is bonded in a 9-coordinate geometry to nine Ni+1.78+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1219289
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; Si4Ni9B2; B-Ni-Si
OSTI Identifier:
1680417
DOI:
https://doi.org/10.17188/1680417

Citation Formats

The Materials Project. Materials Data on Si4Ni9B2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680417.
The Materials Project. Materials Data on Si4Ni9B2 by Materials Project. United States. doi:https://doi.org/10.17188/1680417
The Materials Project. 2019. "Materials Data on Si4Ni9B2 by Materials Project". United States. doi:https://doi.org/10.17188/1680417. https://www.osti.gov/servlets/purl/1680417. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1680417,
title = {Materials Data on Si4Ni9B2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni9B2Si4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent Ni+1.78+ sites. In the first Ni+1.78+ site, Ni+1.78+ is bonded in a 6-coordinate geometry to two equivalent B and four equivalent Si4- atoms. Both Ni–B bond lengths are 2.17 Å. There are a spread of Ni–Si bond distances ranging from 2.32–2.59 Å. In the second Ni+1.78+ site, Ni+1.78+ is bonded in a tetrahedral geometry to four equivalent Si4- atoms. All Ni–Si bond lengths are 2.25 Å. B is bonded in a 10-coordinate geometry to eight equivalent Ni+1.78+ and two equivalent B atoms. Both B–B bond lengths are 2.08 Å. Si4- is bonded in a 9-coordinate geometry to nine Ni+1.78+ atoms.},
doi = {10.17188/1680417},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}